N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine

C17H26BrNO2 — CID 63453715

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCc2cc(OC)c(OC)cc2Br)CC1
InChIInChI=1S/C17H26BrNO2/c1-4-12-5-7-14(8-6-12)19-11-13-9-16(20-2)17(21-3)10-15(13)18/h9-10,12,14,19H,4-8,11H2,1-3H3
InChIKeyUVTYTVVZFLKJKI-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.52
Rot. Bonds6

About N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine (PubChem CID 63453715) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
PubChem CID63453715
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCc2cc(OC)c(OC)cc2Br)CC1
InChIInChI=1S/C17H26BrNO2/c1-4-12-5-7-14(8-6-12)19-11-13-9-16(20-2)17(21-3)10-15(13)18/h9-10,12,14,19H,4-8,11H2,1-3H3
InChIKeyUVTYTVVZFLKJKI-UHFFFAOYSA-N
XLogP4.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-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-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine
CID 66535507
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 60958120
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917716
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454771
N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine
CID 106659132
(3S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 98485911
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 55188586
N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 66534972
4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol
CID 60957872
cis-(1R,2S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 743571
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64910368
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopentanamine
CID 66534455

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine (CID 63453715) is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine is CCC1CCC(NCc2cc(OC)c(OC)cc2Br)CC1.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is UVTYTVVZFLKJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-4-12-5-7-14(8-6-12)19-11-13-9-16(20-2)17(21-3)10-15(13)18/h9-10,12,14,19H,4-8,11H2,1-3H3.
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine?
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 356.30 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 63453715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).