N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine

C17H26BrNO — CID 65323609

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
SMILESCOc1ccc(Br)c(CNCCC2CCC(C)CC2)c1
InChIInChI=1S/C17H26BrNO/c1-13-3-5-14(6-4-13)9-10-19-12-15-11-16(20-2)7-8-17(15)18/h7-8,11,13-14,19H,3-6,9-10,12H2,1-2H3
InChIKeyLLEKTTZYQHHTGH-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.76
Rot. Bonds6

About N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine

N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine (PubChem CID 65323609) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
PubChem CID65323609
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
SMILESCOc1ccc(Br)c(CNCCC2CCC(C)CC2)c1
InChIInChI=1S/C17H26BrNO/c1-13-3-5-14(6-4-13)9-10-19-12-15-11-16(20-2)7-8-17(15)18/h7-8,11,13-14,19H,3-6,9-10,12H2,1-2H3
InChIKeyLLEKTTZYQHHTGH-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline
CID 115414217
N-[(2-bromo-5-methoxyphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 113410367
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylsulfanylethanamine
CID 65324178
3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 66004445
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[(2-bromo-5-methoxyphenyl)methyl]but-3-yn-1-amine
CID 65323558
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 106263478
N-[(2-bromo-5-methoxyphenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491451
3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103828009
N-[(2-bromo-5-methoxyphenyl)methyl]-3-chlorobutan-1-amine
CID 65327129
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735
(E)-N-[(2-bromo-5-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115751591

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine (CID 65323609) is N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine is COc1ccc(Br)c(CNCCC2CCC(C)CC2)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine?
The InChIKey is LLEKTTZYQHHTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-13-3-5-14(6-4-13)9-10-19-12-15-11-16(20-2)7-8-17(15)18/h7-8,11,13-14,19H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine?
N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine has a molecular weight of 340.31 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 65323609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).