2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine

C16H27N3O2 — CID 43209293

IUPAC2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
SMILESCOc1cccc(C(CN)N2CCCN(C)CC2)c1OC
InChIInChI=1S/C16H27N3O2/c1-18-8-5-9-19(11-10-18)14(12-17)13-6-4-7-15(20-2)16(13)21-3/h4,6-7,14H,5,8-12,17H2,1-3H3
InChIKeyBSHPKDPHYUBPQQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.34
Rot. Bonds5

About 2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine

2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine (PubChem CID 43209293) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
PubChem CID43209293
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
SMILESCOc1cccc(C(CN)N2CCCN(C)CC2)c1OC
InChIInChI=1S/C16H27N3O2/c1-18-8-5-9-19(11-10-18)14(12-17)13-6-4-7-15(20-2)16(13)21-3/h4,6-7,14H,5,8-12,17H2,1-3H3
InChIKeyBSHPKDPHYUBPQQ-UHFFFAOYSA-N
XLogP1.34
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)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

(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 30069929
2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584302
2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol
CID 82041916
(2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30066490
2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82303447
2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 62392810
2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 63631314
2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124787
1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
CID 171168476
2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 171158059
1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163017
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine (CID 43209293) is 2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine is COc1cccc(C(CN)N2CCCN(C)CC2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
The InChIKey is BSHPKDPHYUBPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-18-8-5-9-19(11-10-18)14(12-17)13-6-4-7-15(20-2)16(13)21-3/h4,6-7,14H,5,8-12,17H2,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine has a molecular weight of 293.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine is sourced from PubChem (CID 43209293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).