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

C18H31N — CID 43491280

IUPAC1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1ccc(C(C)C)cc1C(C)C)C(C)C
InChIInChI=1S/C18H31N/c1-8-19-18(14(6)7)16-10-9-15(12(2)3)11-17(16)13(4)5/h9-14,18-19H,8H2,1-7H3
InChIKeyDUYPIBAULFREQE-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.24
Rot. Bonds6

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

1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 43491280) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine
PubChem CID43491280
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1ccc(C(C)C)cc1C(C)C)C(C)C
InChIInChI=1S/C18H31N/c1-8-19-18(14(6)7)16-10-9-15(12(2)3)11-17(16)13(4)5/h9-14,18-19H,8H2,1-7H3
InChIKeyDUYPIBAULFREQE-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine
CID 43484507
N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine
CID 43491289
1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine
CID 43496442
1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine
CID 43125390
1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol
CID 63427128
1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
CID 114753381
N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 62965296
1-(1-bromoheptyl)-2,4-di(propan-2-yl)benzene
CID 114753582
1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine
CID 43484494
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
1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 114978438

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine (CID 43491280) is 1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine is CCNC(c1ccc(C(C)C)cc1C(C)C)C(C)C.
What is the InChIKey of 1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is DUYPIBAULFREQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-8-19-18(14(6)7)16-10-9-15(12(2)3)11-17(16)13(4)5/h9-14,18-19H,8H2,1-7H3.
What are the key properties of 1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine?
1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.24, 6 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]-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 43491280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).