N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine

C15H22FNO — CID 114545992

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCOc1cccc(CNC2CCC(C)(C)C2)c1F
InChIInChI=1S/C15H22FNO/c1-15(2)8-7-12(9-15)17-10-11-5-4-6-13(18-3)14(11)16/h4-6,12,17H,7-10H2,1-3H3
InChIKeyMJMDWSPJJCXNFK-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.50
Rot. Bonds4

About N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine

N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 114545992) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID114545992
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCOc1cccc(CNC2CCC(C)(C)C2)c1F
InChIInChI=1S/C15H22FNO/c1-15(2)8-7-12(9-15)17-10-11-5-4-6-13(18-3)14(11)16/h4-6,12,17H,7-10H2,1-3H3
InChIKeyMJMDWSPJJCXNFK-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 104791871
3,3-dimethyl-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
CID 114544341
1-(4,4-dimethylcyclohexyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794042
2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 104791760
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 106361157
3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 81428857
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 104795403
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881518
N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 113453577
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593
2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol
CID 81422757

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 114545992) is N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine is COc1cccc(CNC2CCC(C)(C)C2)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is MJMDWSPJJCXNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-15(2)8-7-12(9-15)17-10-11-5-4-6-13(18-3)14(11)16/h4-6,12,17H,7-10H2,1-3H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114545992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).