N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine

C15H22FN — CID 114544151

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCc1ccc(CNC2CCC(C)(C)C2)cc1F
InChIInChI=1S/C15H22FN/c1-11-4-5-12(8-14(11)16)10-17-13-6-7-15(2,3)9-13/h4-5,8,13,17H,6-7,9-10H2,1-3H3
InChIKeyJYWZHDCKWUEWFR-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.80
Rot. Bonds3

About N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine

N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 114544151) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID114544151
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCc1ccc(CNC2CCC(C)(C)C2)cc1F
InChIInChI=1S/C15H22FN/c1-11-4-5-12(8-14(11)16)10-17-13-6-7-15(2,3)9-13/h4-5,8,13,17H,6-7,9-10H2,1-3H3
InChIKeyJYWZHDCKWUEWFR-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[(3,3-dimethylcyclopentyl)amino]methyl]-2-fluoroaniline
CID 114547589
N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544212
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 114547417
2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 107685969
3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 114544213
N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 115502482
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881518
N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 80679484
N-[(3,4-difluorophenyl)methyl]-5,5-dimethylthian-3-amine
CID 79958969
N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56714946
5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one
CID 63661374
N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112681857

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 114544151) is N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine is Cc1ccc(CNC2CCC(C)(C)C2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is JYWZHDCKWUEWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-4-5-12(8-14(11)16)10-17-13-6-7-15(2,3)9-13/h4-5,8,13,17H,6-7,9-10H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114544151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).