3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine

C12H19NO — CID 12730769

IUPAC3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCOc1cccc(CCCN(C)C)c1
InChIInChI=1S/C12H19NO/c1-13(2)9-5-7-11-6-4-8-12(10-11)14-3/h4,6,8,10H,5,7,9H2,1-3H3
InChIKeyIKSCLHJSVYNORH-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.19
Rot. Bonds5

About 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine

3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 12730769) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
PubChem CID12730769
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCOc1cccc(CCCN(C)C)c1
InChIInChI=1S/C12H19NO/c1-13(2)9-5-7-11-6-4-8-12(10-11)14-3/h4,6,8,10H,5,7,9H2,1-3H3
InChIKeyIKSCLHJSVYNORH-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine (CID 12730769) is 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine is COc1cccc(CCCN(C)C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is IKSCLHJSVYNORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-13(2)9-5-7-11-6-4-8-12(10-11)14-3/h4,6,8,10H,5,7,9H2,1-3H3.
What are the key properties of 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine?
3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 12730769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).