(3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine

C14H20FN — CID 79704869

IUPAC(3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine
SMILESCc1cc(F)cc(C(N)C2CCC(C)C2)c1
InChIInChI=1S/C14H20FN/c1-9-3-4-11(5-9)14(16)12-6-10(2)7-13(15)8-12/h6-9,11,14H,3-5,16H2,1-2H3
InChIKeyQFSHWBLBHWGTCX-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.57
Rot. Bonds2

About (3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine

(3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine (PubChem CID 79704869) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine
PubChem CID79704869
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine
SMILESCc1cc(F)cc(C(N)C2CCC(C)C2)c1
InChIInChI=1S/C14H20FN/c1-9-3-4-11(5-9)14(16)12-6-10(2)7-13(15)8-12/h6-9,11,14H,3-5,16H2,1-2H3
InChIKeyQFSHWBLBHWGTCX-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
CID 130054445
(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 63415986
(3,4-dimethylcyclohexyl)-(3,5-dimethylphenyl)methanamine
CID 104989109
cyclopropyl-(3,5-difluorophenyl)methanamine
CID 62789483
(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
CID 79703753
(R)-cyclopropyl-(3-fluoro-5-methoxyphenyl)methanamine
CID 55278948
(3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 105016634
(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
CID 130055056
(R)-(3-chloro-5-methylphenyl)-cyclopropylmethanamine
CID 55278008
N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65414596
(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
CID 171204514
(S)-cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 131485190

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine?
The IUPAC name of (3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine (CID 79704869) is (3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine is Cc1cc(F)cc(C(N)C2CCC(C)C2)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine?
The InChIKey is QFSHWBLBHWGTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-9-3-4-11(5-9)14(16)12-6-10(2)7-13(15)8-12/h6-9,11,14H,3-5,16H2,1-2H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine?
(3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine has a molecular weight of 221.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 79704869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).