1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine

C13H19NO — CID 168924254

IUPAC1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine
SMILESC=Cc1cc(CC(C)NC)ccc1OC
InChIInChI=1S/C13H19NO/c1-5-12-9-11(8-10(2)14-3)6-7-13(12)15-4/h5-7,9-10,14H,1,8H2,2-4H3
InChIKeyRQYDVNNADCERQO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.49
Rot. Bonds5

About 1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine

1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine (PubChem CID 168924254) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine
PubChem CID168924254
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine
SMILESC=Cc1cc(CC(C)NC)ccc1OC
InChIInChI=1S/C13H19NO/c1-5-12-9-11(8-10(2)14-3)6-7-13(12)15-4/h5-7,9-10,14H,1,8H2,2-4H3
InChIKeyRQYDVNNADCERQO-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide
CID 21150467
1-(4-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 69036284
3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 168924245
4-[2,2-bis(trifluoromethylsulfonyl)ethyl]-2-ethenyl-1-methoxybenzene
CID 145079782
2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline
CID 82257442
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine
CID 82540192
4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 18716327
1-(5-fluoro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 84733466
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
N-cyclopentyl-2-(3-ethenyl-4-methoxyphenyl)acetamide
CID 176516153
2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine
CID 144546494

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine (CID 168924254) is 1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine is C=Cc1cc(CC(C)NC)ccc1OC.
What is the InChIKey of 1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine?
The InChIKey is RQYDVNNADCERQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-12-9-11(8-10(2)14-3)6-7-13(12)15-4/h5-7,9-10,14H,1,8H2,2-4H3.
What are the key properties of 1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine?
1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 168924254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).