(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine

C14H20FN — CID 39244944

IUPAC(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc([C@@H](N)C2CCCCC2)ccc1F
InChIInChI=1S/C14H20FN/c1-10-9-12(7-8-13(10)15)14(16)11-5-3-2-4-6-11/h7-9,11,14H,2-6,16H2,1H3/t14-/m0/s1
InChIKeyILESYBCPVUIQBT-AWEZNQCLSA-N
MW221.32 g/mol
LogP3.71
Rot. Bonds2

About (S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine

(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine (PubChem CID 39244944) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
PubChem CID39244944
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc([C@@H](N)C2CCCCC2)ccc1F
InChIInChI=1S/C14H20FN/c1-10-9-12(7-8-13(10)15)14(16)11-5-3-2-4-6-11/h7-9,11,14H,2-6,16H2,1H3/t14-/m0/s1
InChIKeyILESYBCPVUIQBT-AWEZNQCLSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
CID 171200491
(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314319
cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105143022
2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine
CID 65411297
cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 105027734
(1S,2R)-2-amino-1-cyclobutyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171262203
(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
CID 116935640
4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride
CID 171213118

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine (CID 39244944) is (S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine is Cc1cc([C@@H](N)C2CCCCC2)ccc1F.
What is the InChIKey of (S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine?
The InChIKey is ILESYBCPVUIQBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-9-12(7-8-13(10)15)14(16)11-5-3-2-4-6-11/h7-9,11,14H,2-6,16H2,1H3/t14-/m0/s1.
What are the key properties of (S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine?
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine has a molecular weight of 221.32 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 39244944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).