2-(3-ethylphenyl)-4-methylpentan-1-amine

C14H23N — CID 166737218

IUPAC2-(3-ethylphenyl)-4-methylpentan-1-amine
SMILESCCc1cccc(C(CN)CC(C)C)c1
InChIInChI=1S/C14H23N/c1-4-12-6-5-7-13(9-12)14(10-15)8-11(2)3/h5-7,9,11,14H,4,8,10,15H2,1-3H3
InChIKeyCALHHBOPGOEULY-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.34
Rot. Bonds5

About 2-(3-ethylphenyl)-4-methylpentan-1-amine

2-(3-ethylphenyl)-4-methylpentan-1-amine (PubChem CID 166737218) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(3-ethylphenyl)-4-methylpentan-1-amine
PubChem CID166737218
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-(3-ethylphenyl)-4-methylpentan-1-amine
SMILESCCc1cccc(C(CN)CC(C)C)c1
InChIInChI=1S/C14H23N/c1-4-12-6-5-7-13(9-12)14(10-15)8-11(2)3/h5-7,9,11,14H,4,8,10,15H2,1-3H3
InChIKeyCALHHBOPGOEULY-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4-methyl-2-(3-propan-2-ylphenyl)pentan-1-amine
CID 146290078
2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine
CID 20546137
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
1-butan-2-yl-3-ethylbenzene
CID 528681
1-(3-ethylphenyl)-2,3-dimethylbutan-1-amine
CID 105018856
1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 105018666
N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride
CID 119983421
1-ethyl-3-(1-phenylpropan-2-yl)benzene
CID 91139007
2-ethyl-1-(3-ethylphenyl)butan-1-amine
CID 105018813
3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol
CID 90041405
2-methyl-3-(3-propylphenyl)butan-1-amine
CID 116546394
3-ethyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43102819

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-4-methylpentan-1-amine?
The IUPAC name of 2-(3-ethylphenyl)-4-methylpentan-1-amine (CID 166737218) is 2-(3-ethylphenyl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-(3-ethylphenyl)-4-methylpentan-1-amine?
The canonical SMILES for 2-(3-ethylphenyl)-4-methylpentan-1-amine is CCc1cccc(C(CN)CC(C)C)c1.
What is the InChIKey of 2-(3-ethylphenyl)-4-methylpentan-1-amine?
The InChIKey is CALHHBOPGOEULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-12-6-5-7-13(9-12)14(10-15)8-11(2)3/h5-7,9,11,14H,4,8,10,15H2,1-3H3.
What are the key properties of 2-(3-ethylphenyl)-4-methylpentan-1-amine?
2-(3-ethylphenyl)-4-methylpentan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 166737218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).