2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine

C23H25FN8O — CID 67613519

IUPAC2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine
SMILESCOc1ccc(-c2nn[nH]n2)cc1CNC1CCC(Cn2ccnn2)C1c1ccc(F)cc1
InChIInChI=1S/C23H25FN8O/c1-33-21-9-5-16(23-27-29-30-28-23)12-18(21)13-25-20-8-4-17(14-32-11-10-26-31-32)22(20)15-2-6-19(24)7-3-15/h2-3,5-7,9-12,17,20,22,25H,4,8,13-14H2,1H3,(H,27,28,29,30)
InChIKeyPTBOEXMAQOUQGT-UHFFFAOYSA-N
MW448.51 g/mol
LogP2.96
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine

2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine (PubChem CID 67613519) has the molecular formula C23H25FN8O and a molecular weight of 448.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine
PubChem CID67613519
Molecular FormulaC23H25FN8O
Molecular Weight448.51 g/mol
Exact Mass448.21
IUPAC Name2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine
SMILESCOc1ccc(-c2nn[nH]n2)cc1CNC1CCC(Cn2ccnn2)C1c1ccc(F)cc1
InChIInChI=1S/C23H25FN8O/c1-33-21-9-5-16(23-27-29-30-28-23)12-18(21)13-25-20-8-4-17(14-32-11-10-26-31-32)22(20)15-2-6-19(24)7-3-15/h2-3,5-7,9-12,17,20,22,25H,4,8,13-14H2,1H3,(H,27,28,29,30)
InChIKeyPTBOEXMAQOUQGT-UHFFFAOYSA-N
XLogP2.96
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide
CID 70347184
N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide
CID 70346960
N-[(1S,2S,3S)-2-(4-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)cyclopentyl]-2-methoxy-N-methyl-5-(2H-tetrazol-5-yl)aniline
CID 70347413
methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate
CID 67668919
methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-3-ylphenyl)methylamino]cyclopentane-1-carboxylate
CID 67667060
(3S)-N-[(1R)-1-(4-fluoro-2-methoxyphenyl)ethyl]-3-[4-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
CID 70824860
(2S,3S)-N-[[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67618812
2-(3,4-difluorophenyl)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]piperidin-3-amine
CID 22106496
5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593225
5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
CID 3853694
(2S,3S)-N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]-2-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-3-amine
CID 146914977
2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 138696926

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine (CID 67613519) is 2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine is COc1ccc(-c2nn[nH]n2)cc1CNC1CCC(Cn2ccnn2)C1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine?
The InChIKey is PTBOEXMAQOUQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN8O/c1-33-21-9-5-16(23-27-29-30-28-23)12-18(21)13-25-20-8-4-17(14-32-11-10-26-31-32)22(20)15-2-6-19(24)7-3-15/h2-3,5-7,9-12,17,20,22,25H,4,8,13-14H2,1H3,(H,27,28,29,30).
What are the key properties of 2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine?
2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine has a molecular weight of 448.51 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 67613519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).