N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine

C19H30BrN — CID 104990900

IUPACN-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(Br)c1)C1CCC(CC)CC1
InChIInChI=1S/C19H30BrN/c1-4-10-21-19(16-8-6-15(5-2)7-9-16)17-11-14(3)12-18(20)13-17/h11-13,15-16,19,21H,4-10H2,1-3H3
InChIKeyPSZQDJFGACUZOG-UHFFFAOYSA-N
MW352.36 g/mol
LogP6.01
Rot. Bonds6

About N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine

N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine (PubChem CID 104990900) has the molecular formula C19H30BrN and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
PubChem CID104990900
Molecular FormulaC19H30BrN
Molecular Weight352.36 g/mol
Exact Mass351.16
IUPAC NameN-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(Br)c1)C1CCC(CC)CC1
InChIInChI=1S/C19H30BrN/c1-4-10-21-19(16-8-6-15(5-2)7-9-16)17-11-14(3)12-18(20)13-17/h11-13,15-16,19,21H,4-10H2,1-3H3
InChIKeyPSZQDJFGACUZOG-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine 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

N-[(3-bromo-5-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981193
N-[(2,6-dimethyl-4-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 107504016
N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 105155352
(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methanol
CID 115807244
1-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392502
N-[(4,5-dibromothiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990742
N-[(2,5-dibromophenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990870
N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65410254
N-[(3-bromo-5-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 107945816
1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine
CID 114979558
N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
CID 105157272
N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 64774201

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine (CID 104990900) is N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(Br)c1)C1CCC(CC)CC1.
What is the InChIKey of N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is PSZQDJFGACUZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrN/c1-4-10-21-19(16-8-6-15(5-2)7-9-16)17-11-14(3)12-18(20)13-17/h11-13,15-16,19,21H,4-10H2,1-3H3.
What are the key properties of N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 352.36 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 104990900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).