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

C12H19N — CID 55283477

IUPAC1-(2-ethyl-3-methylphenyl)propan-1-amine
SMILESCCc1c(C)cccc1C(N)CC
InChIInChI=1S/C12H19N/c1-4-10-9(3)7-6-8-11(10)12(13)5-2/h6-8,12H,4-5,13H2,1-3H3
InChIKeyXAAFWJIRYCKPSD-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.97
Rot. Bonds3

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

1-(2-ethyl-3-methylphenyl)propan-1-amine (PubChem CID 55283477) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(2-ethyl-3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-3-methylphenyl)propan-1-amine
PubChem CID55283477
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(2-ethyl-3-methylphenyl)propan-1-amine
SMILESCCc1c(C)cccc1C(N)CC
InChIInChI=1S/C12H19N/c1-4-10-9(3)7-6-8-11(10)12(13)5-2/h6-8,12H,4-5,13H2,1-3H3
InChIKeyXAAFWJIRYCKPSD-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-iodo-3-methylphenyl)propan-1-amine
CID 103846034
(1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine
CID 55294117
1-(2,6-dimethylphenyl)propan-1-amine
CID 55282920
2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene
CID 143754852
(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine
CID 45072383
1-[2-(2-methylphenoxy)phenyl]propan-1-amine
CID 112678413
(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
CID 107658799
(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine
CID 130971593
2-(1-aminopropyl)benzenethiol
CID 22286714
2-[(1S)-1-aminopropyl]benzenethiol
CID 55292723
(2-butan-2-yl-6-methylphenyl)methanamine;ethane
CID 143860612
2-[(1R)-1-aminopropyl]-3-methylphenol
CID 130648593

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3-methylphenyl)propan-1-amine?
The IUPAC name of 1-(2-ethyl-3-methylphenyl)propan-1-amine (CID 55283477) is 1-(2-ethyl-3-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(2-ethyl-3-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(2-ethyl-3-methylphenyl)propan-1-amine is CCc1c(C)cccc1C(N)CC.
What is the InChIKey of 1-(2-ethyl-3-methylphenyl)propan-1-amine?
The InChIKey is XAAFWJIRYCKPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-10-9(3)7-6-8-11(10)12(13)5-2/h6-8,12H,4-5,13H2,1-3H3.
What are the key properties of 1-(2-ethyl-3-methylphenyl)propan-1-amine?
1-(2-ethyl-3-methylphenyl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-methylphenyl)propan-1-amine is sourced from PubChem (CID 55283477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).