2-(3-ethylphenyl)-N-methylpropan-1-amine

C12H19N — CID 105425624

IUPAC2-(3-ethylphenyl)-N-methylpropan-1-amine
SMILESCCc1cccc(C(C)CNC)c1
InChIInChI=1S/C12H19N/c1-4-11-6-5-7-12(8-11)10(2)9-13-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyOCUWSVGSQGZPLU-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.57
Rot. Bonds4

About 2-(3-ethylphenyl)-N-methylpropan-1-amine

2-(3-ethylphenyl)-N-methylpropan-1-amine (PubChem CID 105425624) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-ethylphenyl)-N-methylpropan-1-amine
PubChem CID105425624
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-(3-ethylphenyl)-N-methylpropan-1-amine
SMILESCCc1cccc(C(C)CNC)c1
InChIInChI=1S/C12H19N/c1-4-11-6-5-7-12(8-11)10(2)9-13-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyOCUWSVGSQGZPLU-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-3-ethylbenzene
CID 528681
2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine
CID 20546137
1-ethyl-3-(1-phenylpropan-2-yl)benzene
CID 91139007
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
(3-ethylphenyl)-(methylamino)methanol
CID 91312447
1-decan-2-yl-3-ethylbenzene
CID 123801933
CID 177025702
CID 177025702
5-(3-ethylphenyl)hexane-1,1-diol
CID 142091114
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018696
N,2-dimethyl-3-(3-propylphenyl)butan-1-amine
CID 116546425
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(3-ethylphenyl)-N-methylpropan-1-amine (CID 105425624) is 2-(3-ethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3-ethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(3-ethylphenyl)-N-methylpropan-1-amine is CCc1cccc(C(C)CNC)c1.
What is the InChIKey of 2-(3-ethylphenyl)-N-methylpropan-1-amine?
The InChIKey is OCUWSVGSQGZPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-11-6-5-7-12(8-11)10(2)9-13-3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of 2-(3-ethylphenyl)-N-methylpropan-1-amine?
2-(3-ethylphenyl)-N-methylpropan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 105425624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).