1-(3-ethyl-2-methylphenyl)propan-2-amine

C12H19N — CID 134425754

IUPAC1-(3-ethyl-2-methylphenyl)propan-2-amine
SMILESCCc1cccc(CC(C)N)c1C
InChIInChI=1S/C12H19N/c1-4-11-6-5-7-12(10(11)3)8-9(2)13/h5-7,9H,4,8,13H2,1-3H3
InChIKeyIUVJORUJKGUOKZ-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.45
Rot. Bonds3

About 1-(3-ethyl-2-methylphenyl)propan-2-amine

1-(3-ethyl-2-methylphenyl)propan-2-amine (PubChem CID 134425754) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(3-ethyl-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-methylphenyl)propan-2-amine
PubChem CID134425754
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(3-ethyl-2-methylphenyl)propan-2-amine
SMILESCCc1cccc(CC(C)N)c1C
InChIInChI=1S/C12H19N/c1-4-11-6-5-7-12(10(11)3)8-9(2)13/h5-7,9H,4,8,13H2,1-3H3
InChIKeyIUVJORUJKGUOKZ-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-diethylphenyl)propan-2-amine
CID 175188525
(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine
CID 130795022
2-(2-aminopropyl)-6-ethylphenol
CID 83875214
(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine
CID 130971593
3-[(2S)-2-aminopropyl]-2-methylbenzonitrile
CID 99945744
2-[(2R)-2-aminopropyl]-6-methylaniline
CID 130618077
(2R)-1-(2-iodo-3-methylphenyl)propan-2-amine
CID 131014197
3-ethyl-2-methylaniline
CID 19879636
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
CID 60907512
1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine
CID 63817683

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-ethyl-2-methylphenyl)propan-2-amine (CID 134425754) is 1-(3-ethyl-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethyl-2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-ethyl-2-methylphenyl)propan-2-amine is CCc1cccc(CC(C)N)c1C.
What is the InChIKey of 1-(3-ethyl-2-methylphenyl)propan-2-amine?
The InChIKey is IUVJORUJKGUOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-11-6-5-7-12(10(11)3)8-9(2)13/h5-7,9H,4,8,13H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-methylphenyl)propan-2-amine?
1-(3-ethyl-2-methylphenyl)propan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 134425754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).