N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine

C16H24BrN — CID 55196888

IUPACN-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C16H24BrN/c1-13(2)18-12-16(10-4-3-5-11-16)14-6-8-15(17)9-7-14/h6-9,13,18H,3-5,10-12H2,1-2H3
InChIKeyATUVMURVBLFOOI-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.65
Rot. Bonds4

About N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine

N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 55196888) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
PubChem CID55196888
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C16H24BrN/c1-13(2)18-12-16(10-4-3-5-11-16)14-6-8-15(17)9-7-14/h6-9,13,18H,3-5,10-12H2,1-2H3
InChIKeyATUVMURVBLFOOI-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine
CID 63511609
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091756
N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 63512430
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine
CID 65006722
1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene
CID 84730103
1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene
CID 82094186
N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine
CID 62829689
N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194612
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine (CID 55196888) is N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(c2ccc(Br)cc2)CCCCC1.
What is the InChIKey of N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is ATUVMURVBLFOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-13(2)18-12-16(10-4-3-5-11-16)14-6-8-15(17)9-7-14/h6-9,13,18H,3-5,10-12H2,1-2H3.
What are the key properties of N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine?
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 310.28 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 55196888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).