1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine

C19H33N — CID 43484507

IUPAC1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C19H33N/c1-8-15(9-2)19(20-7)17-11-10-16(13(3)4)12-18(17)14(5)6/h10-15,19-20H,8-9H2,1-7H3
InChIKeyPKFXLQWUWVDALW-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.63
Rot. Bonds7

About 1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine

1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine (PubChem CID 43484507) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine
PubChem CID43484507
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C19H33N/c1-8-15(9-2)19(20-7)17-11-10-16(13(3)4)12-18(17)14(5)6/h10-15,19-20H,8-9H2,1-7H3
InChIKeyPKFXLQWUWVDALW-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine
CID 43491280
1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine
CID 43484494
1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine
CID 43496442
N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 43625326
1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene
CID 82990050
1-(1-bromo-3-methylpentyl)-2,4-di(propan-2-yl)benzene
CID 114876117
2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990589
2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine
CID 103302248
(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 93063130
1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 43481938
N-pentan-3-yl-2,4-di(propan-2-yl)aniline
CID 43693580
1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine
CID 43484503

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine (CID 43484507) is 1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine is CCC(CC)C(NC)c1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine?
The InChIKey is PKFXLQWUWVDALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-8-15(9-2)19(20-7)17-11-10-16(13(3)4)12-18(17)14(5)6/h10-15,19-20H,8-9H2,1-7H3.
What are the key properties of 1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine?
1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 43484507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).