5-(3,4-dimethoxyphenyl)hexan-2-amine

C14H23NO2 — CID 83928848

IUPAC5-(3,4-dimethoxyphenyl)hexan-2-amine
SMILESCOc1ccc(C(C)CCC(C)N)cc1OC
InChIInChI=1S/C14H23NO2/c1-10(5-6-11(2)15)12-7-8-13(16-3)14(9-12)17-4/h7-11H,5-6,15H2,1-4H3
InChIKeyOUXLRWXRNICCTM-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.93
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)hexan-2-amine

5-(3,4-dimethoxyphenyl)hexan-2-amine (PubChem CID 83928848) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)hexan-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)hexan-2-amine
PubChem CID83928848
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5-(3,4-dimethoxyphenyl)hexan-2-amine
SMILESCOc1ccc(C(C)CCC(C)N)cc1OC
InChIInChI=1S/C14H23NO2/c1-10(5-6-11(2)15)12-7-8-13(16-3)14(9-12)17-4/h7-11H,5-6,15H2,1-4H3
InChIKeyOUXLRWXRNICCTM-UHFFFAOYSA-N
XLogP2.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-dimethoxyphenyl)hexan-2-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

5-(3-methoxy-4-propoxyphenyl)hexan-2-amine
CID 83938489
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
CID 83938317
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
3-(4-ethoxy-3-methoxyphenyl)butane-1-thiol
CID 83938307
3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81020042

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)hexan-2-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)hexan-2-amine (CID 83928848) is 5-(3,4-dimethoxyphenyl)hexan-2-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)hexan-2-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)hexan-2-amine is COc1ccc(C(C)CCC(C)N)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)hexan-2-amine?
The InChIKey is OUXLRWXRNICCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(5-6-11(2)15)12-7-8-13(16-3)14(9-12)17-4/h7-11H,5-6,15H2,1-4H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)hexan-2-amine?
5-(3,4-dimethoxyphenyl)hexan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)hexan-2-amine is sourced from PubChem (CID 83928848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).