1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine

C15H22FNO — CID 55260820

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCOc1ccc(CNCC2(C)CCCC2)cc1F
InChIInChI=1S/C15H22FNO/c1-15(7-3-4-8-15)11-17-10-12-5-6-14(18-2)13(16)9-12/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyGSQRPFFUZMMSSO-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.50
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine

1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine (PubChem CID 55260820) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
PubChem CID55260820
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCOc1ccc(CNCC2(C)CCCC2)cc1F
InChIInChI=1S/C15H22FNO/c1-15(7-3-4-8-15)11-17-10-12-5-6-14(18-2)13(16)9-12/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyGSQRPFFUZMMSSO-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735804
2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 107685782
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932273
2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103753065
4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 65116509
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxane-4-carboxamide
CID 71972857
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61166828
1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
1-(3-bromo-4,5-dimethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735823

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine (CID 55260820) is 1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine is COc1ccc(CNCC2(C)CCCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The InChIKey is GSQRPFFUZMMSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-15(7-3-4-8-15)11-17-10-12-5-6-14(18-2)13(16)9-12/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine has a molecular weight of 251.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 55260820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).