6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine

C21H29NO3 — CID 175825674

IUPAC6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine
SMILESCOc1ccccc1CCC(N)CCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H29NO3/c1-23-19-10-5-4-8-17(19)12-13-18(22)9-6-7-16-11-14-20(24-2)21(15-16)25-3/h4-5,8,10-11,14-15,18H,6-7,9,12-13,22H2,1-3H3
InChIKeyGLIZCEKFCVEETP-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.00
Rot. Bonds10

About 6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine

6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine (PubChem CID 175825674) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine
PubChem CID175825674
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine
SMILESCOc1ccccc1CCC(N)CCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H29NO3/c1-23-19-10-5-4-8-17(19)12-13-18(22)9-6-7-16-11-14-20(24-2)21(15-16)25-3/h4-5,8,10-11,14-15,18H,6-7,9,12-13,22H2,1-3H3
InChIKeyGLIZCEKFCVEETP-UHFFFAOYSA-N
XLogP4.00
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 174421417
3-(3,4-dimethoxyphenyl)propyl-triphenylphosphanium iodide
CID 10940771
2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid
CID 115005508
1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503243
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate
CID 23533716
(2R,6R)-6-amino-2,8-bis(3,4-dimethoxyphenyl)-2-ethyloctanenitrile
CID 94865428
6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine
CID 83926840
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119164539
4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene
CID 54375064
1-(3-fluoro-4-methoxyphenyl)-5-phenylpentan-2-amine
CID 105122085

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine (CID 175825674) is 6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine is COc1ccccc1CCC(N)CCCc1ccc(OC)c(OC)c1.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine?
The InChIKey is GLIZCEKFCVEETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-23-19-10-5-4-8-17(19)12-13-18(22)9-6-7-16-11-14-20(24-2)21(15-16)25-3/h4-5,8,10-11,14-15,18H,6-7,9,12-13,22H2,1-3H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine?
6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine has a molecular weight of 343.47 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine is sourced from PubChem (CID 175825674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).