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

C17H26BrN — CID 66472811

IUPACN-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CNCc2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C17H26BrN/c1-3-14-4-6-15(7-5-14)11-19-12-16-8-9-17(18)13(2)10-16/h8-10,14-15,19H,3-7,11-12H2,1-2H3
InChIKeyVBIZGKCGPVUAMS-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.06
Rot. Bonds5

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

N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine (PubChem CID 66472811) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
PubChem CID66472811
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CNCc2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C17H26BrN/c1-3-14-4-6-15(7-5-14)11-19-12-16-8-9-17(18)13(2)10-16/h8-10,14-15,19H,3-7,11-12H2,1-2H3
InChIKeyVBIZGKCGPVUAMS-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 66473412
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553
4-[(cyclopropylmethylamino)methyl]-2-methylaniline
CID 61150758
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 106816651
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451744
N-[(4-bromo-3-methylphenyl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine
CID 95932163
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114076532
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 81436280
N-[(3-bromo-4-methylphenyl)methyl]-1-(thian-4-yl)methanamine
CID 113344536

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine (CID 66472811) is N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine is CCC1CCC(CNCc2ccc(Br)c(C)c2)CC1.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The InChIKey is VBIZGKCGPVUAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-3-14-4-6-15(7-5-14)11-19-12-16-8-9-17(18)13(2)10-16/h8-10,14-15,19H,3-7,11-12H2,1-2H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine has a molecular weight of 324.31 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine is sourced from PubChem (CID 66472811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).