2-(2-ethyl-5-methylphenyl)propan-1-amine

C12H19N — CID 117277659

IUPAC2-(2-ethyl-5-methylphenyl)propan-1-amine
SMILESCCc1ccc(C)cc1C(C)CN
InChIInChI=1S/C12H19N/c1-4-11-6-5-9(2)7-12(11)10(3)8-13/h5-7,10H,4,8,13H2,1-3H3
InChIKeyVYRJNFLWICDDNP-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-ethyl-5-methylphenyl)propan-1-amine

2-(2-ethyl-5-methylphenyl)propan-1-amine (PubChem CID 117277659) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylphenyl)propan-1-amine
PubChem CID117277659
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-(2-ethyl-5-methylphenyl)propan-1-amine
SMILESCCc1ccc(C)cc1C(C)CN
InChIInChI=1S/C12H19N/c1-4-11-6-5-9(2)7-12(11)10(3)8-13/h5-7,10H,4,8,13H2,1-3H3
InChIKeyVYRJNFLWICDDNP-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine
CID 143259927
(1S)-1-(2-ethyl-5-methylphenyl)butan-1-amine
CID 55296637
2-amino-2-(2-ethyl-5-methylphenyl)ethanol
CID 55283638
(2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine
CID 81110402
1,2-diethyl-4-methylbenzene;methane
CID 174446118
1-amino-4-(2,5-diethylphenyl)pentan-2-ol
CID 83921003
2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine
CID 83927537
1-(2-ethyl-5-methylphenyl)propan-2-ol
CID 117277868
3-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277653
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
2-(2-chloro-3,5-dimethylphenyl)propan-1-amine
CID 84774730
2-ethyl-5-methylbenzenethiol
CID 91873863

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylphenyl)propan-1-amine?
The IUPAC name of 2-(2-ethyl-5-methylphenyl)propan-1-amine (CID 117277659) is 2-(2-ethyl-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-ethyl-5-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(2-ethyl-5-methylphenyl)propan-1-amine is CCc1ccc(C)cc1C(C)CN.
What is the InChIKey of 2-(2-ethyl-5-methylphenyl)propan-1-amine?
The InChIKey is VYRJNFLWICDDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-11-6-5-9(2)7-12(11)10(3)8-13/h5-7,10H,4,8,13H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylphenyl)propan-1-amine?
2-(2-ethyl-5-methylphenyl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 117277659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).