N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine

C16H24BrN — CID 63451744

IUPACN-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CNCc2cccc(Br)c2)CC1
InChIInChI=1S/C16H24BrN/c1-2-13-6-8-14(9-7-13)11-18-12-15-4-3-5-16(17)10-15/h3-5,10,13-14,18H,2,6-9,11-12H2,1H3
InChIKeyYSGUMIUTLSZBQZ-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.76
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine

N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine (PubChem CID 63451744) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
PubChem CID63451744
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CNCc2cccc(Br)c2)CC1
InChIInChI=1S/C16H24BrN/c1-2-13-6-8-14(9-7-13)11-18-12-15-4-3-5-16(17)10-15/h3-5,10,13-14,18H,2,6-9,11-12H2,1H3
InChIKeyYSGUMIUTLSZBQZ-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
CID 43215546
N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856573
3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214133
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 66472811
1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 63490472
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63455728
N-[(3-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653164
N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine
CID 114223764
N-[(3-bromo-5-nitrophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 103350614
N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17213784

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine (CID 63451744) is N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine is CCC1CCC(CNCc2cccc(Br)c2)CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The InChIKey is YSGUMIUTLSZBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-2-13-6-8-14(9-7-13)11-18-12-15-4-3-5-16(17)10-15/h3-5,10,13-14,18H,2,6-9,11-12H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine has a molecular weight of 310.28 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine is sourced from PubChem (CID 63451744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).