N-[(1-phenylcyclohexyl)methyl]propan-2-amine

C16H25N — CID 62596577

IUPACN-[(1-phenylcyclohexyl)methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccccc2)CCCCC1
InChIInChI=1S/C16H25N/c1-14(2)17-13-16(11-7-4-8-12-16)15-9-5-3-6-10-15/h3,5-6,9-10,14,17H,4,7-8,11-13H2,1-2H3
InChIKeyRUQJLVLMWQJNQU-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.89
Rot. Bonds4

About N-[(1-phenylcyclohexyl)methyl]propan-2-amine

N-[(1-phenylcyclohexyl)methyl]propan-2-amine (PubChem CID 62596577) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(1-phenylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-phenylcyclohexyl)methyl]propan-2-amine
PubChem CID62596577
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(1-phenylcyclohexyl)methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccccc2)CCCCC1
InChIInChI=1S/C16H25N/c1-14(2)17-13-16(11-7-4-8-12-16)15-9-5-3-6-10-15/h3,5-6,9-10,14,17H,4,7-8,11-13H2,1-2H3
InChIKeyRUQJLVLMWQJNQU-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888
N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine
CID 65009225
N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine
CID 55095998
N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine
CID 55195742
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 63512430
N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine
CID 63511609
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine
CID 62829689
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
N-[(1-phenylcyclopentyl)methyl]methanesulfonamide
CID 47016388

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(1-phenylcyclohexyl)methyl]propan-2-amine (CID 62596577) is N-[(1-phenylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-phenylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-phenylcyclohexyl)methyl]propan-2-amine is CC(C)NCC1(c2ccccc2)CCCCC1.
What is the InChIKey of N-[(1-phenylcyclohexyl)methyl]propan-2-amine?
The InChIKey is RUQJLVLMWQJNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-14(2)17-13-16(11-7-4-8-12-16)15-9-5-3-6-10-15/h3,5-6,9-10,14,17H,4,7-8,11-13H2,1-2H3.
What are the key properties of N-[(1-phenylcyclohexyl)methyl]propan-2-amine?
N-[(1-phenylcyclohexyl)methyl]propan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 62596577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).