3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine

C18H21NO — CID 141222955

IUPAC3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine
SMILESC=Cc1cccc(OC)c1-c1cccc(CCCN)c1
InChIInChI=1S/C18H21NO/c1-3-15-9-5-11-17(20-2)18(15)16-10-4-7-14(13-16)8-6-12-19/h3-5,7,9-11,13H,1,6,8,12,19H2,2H3
InChIKeyHYOBKUPXMRWHLJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.90
Rot. Bonds6

About 3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine

3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine (PubChem CID 141222955) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine
PubChem CID141222955
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine
SMILESC=Cc1cccc(OC)c1-c1cccc(CCCN)c1
InChIInChI=1S/C18H21NO/c1-3-15-9-5-11-17(20-2)18(15)16-10-4-7-14(13-16)8-6-12-19/h3-5,7,9-11,13H,1,6,8,12,19H2,2H3
InChIKeyHYOBKUPXMRWHLJ-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene
CID 145480510
3-(2-ethenyl-6-methoxyphenyl)thiophene
CID 172650323
2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine
CID 70696912
3-(3-phenylphenyl)propan-1-amine
CID 68886504
3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline
CID 46194968
3-(3-aminopropyl)-N-[2-[3-[3-[[3-(3-aminopropyl)anilino]methyl]-4-methoxyphenyl]phenyl]ethyl]aniline
CID 90866134
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine
CID 69088679
methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate
CID 146186663
1,1'-biphenyl;1-ethenyl-2-methoxybenzene
CID 158702776
4-(3-phenylphenyl)butan-1-amine
CID 117324209
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine?
The IUPAC name of 3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine (CID 141222955) is 3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine is C=Cc1cccc(OC)c1-c1cccc(CCCN)c1.
What is the InChIKey of 3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine?
The InChIKey is HYOBKUPXMRWHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-15-9-5-11-17(20-2)18(15)16-10-4-7-14(13-16)8-6-12-19/h3-5,7,9-11,13H,1,6,8,12,19H2,2H3.
What are the key properties of 3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine?
3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine is sourced from PubChem (CID 141222955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).