3-(4-ethylphenyl)butan-2-amine

C12H19N — CID 66439374

IUPAC3-(4-ethylphenyl)butan-2-amine
SMILESCCc1ccc(C(C)C(C)N)cc1
InChIInChI=1S/C12H19N/c1-4-11-5-7-12(8-6-11)9(2)10(3)13/h5-10H,4,13H2,1-3H3
InChIKeyFAHCVXHNPVXMDI-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.70
Rot. Bonds3

About 3-(4-ethylphenyl)butan-2-amine

3-(4-ethylphenyl)butan-2-amine (PubChem CID 66439374) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-(4-ethylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-(4-ethylphenyl)butan-2-amine
PubChem CID66439374
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-(4-ethylphenyl)butan-2-amine
SMILESCCc1ccc(C(C)C(C)N)cc1
InChIInChI=1S/C12H19N/c1-4-11-5-7-12(8-6-11)9(2)10(3)13/h5-10H,4,13H2,1-3H3
InChIKeyFAHCVXHNPVXMDI-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride
CID 57375944
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683
4-(4-ethylphenyl)-3-methylpentan-1-amine
CID 83922583
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
chloro-(4-ethylphenyl)methanamine
CID 116947710
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
2-amino-5-(4-ethylphenyl)hexan-3-ol
CID 83922656
(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
CID 171270161

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)butan-2-amine?
The IUPAC name of 3-(4-ethylphenyl)butan-2-amine (CID 66439374) is 3-(4-ethylphenyl)butan-2-amine.
What is the SMILES notation for 3-(4-ethylphenyl)butan-2-amine?
The canonical SMILES for 3-(4-ethylphenyl)butan-2-amine is CCc1ccc(C(C)C(C)N)cc1.
What is the InChIKey of 3-(4-ethylphenyl)butan-2-amine?
The InChIKey is FAHCVXHNPVXMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-11-5-7-12(8-6-11)9(2)10(3)13/h5-10H,4,13H2,1-3H3.
What are the key properties of 3-(4-ethylphenyl)butan-2-amine?
3-(4-ethylphenyl)butan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)butan-2-amine is sourced from PubChem (CID 66439374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).