2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine

C18H28BrN — CID 65425315

IUPAC2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(Cc2ccc(Br)cc2)NC)CC1
InChIInChI=1S/C18H28BrN/c1-3-4-14-5-9-16(10-6-14)18(20-2)13-15-7-11-17(19)12-8-15/h7-8,11-12,14,16,18,20H,3-6,9-10,13H2,1-2H3
InChIKeyFGJFAGYMJGCTGF-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.19
Rot. Bonds6

About 2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine

2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine (PubChem CID 65425315) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
PubChem CID65425315
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC Name2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(Cc2ccc(Br)cc2)NC)CC1
InChIInChI=1S/C18H28BrN/c1-3-4-14-5-9-16(10-6-14)18(20-2)13-15-7-11-17(19)12-8-15/h7-8,11-12,14,16,18,20H,3-6,9-10,13H2,1-2H3
InChIKeyFGJFAGYMJGCTGF-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)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-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424348
2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424347
2-(furan-3-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 83175553
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 79740147
N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
[2-(4-chlorophenyl)-1-(4-propylcyclohexyl)ethyl]hydrazine
CID 105232365
2-(5-ethylthiophen-2-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425118
2-cyclopropyl-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65423192
2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 55186434
2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine
CID 115787204
2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 61065850
2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 79575352

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine (CID 65425315) is 2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine is CCCC1CCC(C(Cc2ccc(Br)cc2)NC)CC1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine?
The InChIKey is FGJFAGYMJGCTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-3-4-14-5-9-16(10-6-14)18(20-2)13-15-7-11-17(19)12-8-15/h7-8,11-12,14,16,18,20H,3-6,9-10,13H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine?
2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine has a molecular weight of 338.33 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine is sourced from PubChem (CID 65425315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).