(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine

C16H25N — CID 171231604

IUPAC(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine
SMILESCC(C)c1cccc([C@@H](N)C2CCCCC2)c1
InChIInChI=1S/C16H25N/c1-12(2)14-9-6-10-15(11-14)16(17)13-7-4-3-5-8-13/h6,9-13,16H,3-5,7-8,17H2,1-2H3/t16-/m0/s1
InChIKeyNSHFQMJLKDLQJM-INIZCTEOSA-N
MW231.38 g/mol
LogP4.39
Rot. Bonds3

About (S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine

(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine (PubChem CID 171231604) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine
PubChem CID171231604
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine
SMILESCC(C)c1cccc([C@@H](N)C2CCCCC2)c1
InChIInChI=1S/C16H25N/c1-12(2)14-9-6-10-15(11-14)16(17)13-7-4-3-5-8-13/h6,9-13,16H,3-5,7-8,17H2,1-2H3/t16-/m0/s1
InChIKeyNSHFQMJLKDLQJM-INIZCTEOSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
(S)-(3-bromophenyl)-cyclohexylmethanamine
CID 93312550
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride
CID 171230172
cyclohexyl(phenyl)methanamine
CID 11064121
cyclohexyl(naphthalen-2-yl)methanamine
CID 62715199
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
methyl 3-[amino(cyclopentyl)methyl]benzoate
CID 105493090
(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
CID 171206139
(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
CID 171220083

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine?
The IUPAC name of (S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine (CID 171231604) is (S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine?
The canonical SMILES for (S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine is CC(C)c1cccc([C@@H](N)C2CCCCC2)c1.
What is the InChIKey of (S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine?
The InChIKey is NSHFQMJLKDLQJM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)14-9-6-10-15(11-14)16(17)13-7-4-3-5-8-13/h6,9-13,16H,3-5,7-8,17H2,1-2H3/t16-/m0/s1.
What are the key properties of (S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine?
(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine has a molecular weight of 231.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 171231604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).