3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine

C17H21NO2 — CID 69397139

IUPAC3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
SMILESCOc1ccc(-c2ccccc2CCCN)cc1OC
InChIInChI=1S/C17H21NO2/c1-19-16-10-9-14(12-17(16)20-2)15-8-4-3-6-13(15)7-5-11-18/h3-4,6,8-10,12H,5,7,11,18H2,1-2H3
InChIKeyIHZCJLRJKKXJHS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.26
Rot. Bonds6

About 3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine

3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine (PubChem CID 69397139) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
PubChem CID69397139
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
SMILESCOc1ccc(-c2ccccc2CCCN)cc1OC
InChIInChI=1S/C17H21NO2/c1-19-16-10-9-14(12-17(16)20-2)15-8-4-3-6-13(15)7-5-11-18/h3-4,6,8-10,12H,5,7,11,18H2,1-2H3
InChIKeyIHZCJLRJKKXJHS-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-5-phenylphenyl)propan-1-amine
CID 170867885
2-[2-(3,4-dimethoxyphenyl)phenyl]acetaldehyde
CID 87253869
4-[2-(3-aminopropyl)phenyl]phenol
CID 83384327
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride
CID 174475593
ethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate
CID 170885510
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
[2-(3,4-dimethoxyphenyl)phenyl]boronic acid
CID 135023624
4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene
CID 126696020
[4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine
CID 82480620
3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
CID 170879087

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine (CID 69397139) is 3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine is COc1ccc(-c2ccccc2CCCN)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine?
The InChIKey is IHZCJLRJKKXJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-19-16-10-9-14(12-17(16)20-2)15-8-4-3-6-13(15)7-5-11-18/h3-4,6,8-10,12H,5,7,11,18H2,1-2H3.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine?
3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine is sourced from PubChem (CID 69397139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).