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

C18H31N — CID 43496442

IUPAC1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C18H31N/c1-7-11-19-18(8-2)16-10-9-15(13(3)4)12-17(16)14(5)6/h9-10,12-14,18-19H,7-8,11H2,1-6H3
InChIKeyAZAPZZIGZZJORO-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.38
Rot. Bonds7

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

1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine (PubChem CID 43496442) 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-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine
PubChem CID43496442
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C18H31N/c1-7-11-19-18(8-2)16-10-9-15(13(3)4)12-17(16)14(5)6/h9-10,12-14,18-19H,7-8,11H2,1-6H3
InChIKeyAZAPZZIGZZJORO-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.38
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
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
1-[5-(4-propan-2-ylphenyl)furan-2-yl]-N-propylpropan-1-amine
CID 63398585
1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine
CID 43484507
1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine
CID 43484494
1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 65440223
N-pentan-3-yl-2,4-di(propan-2-yl)aniline
CID 43693580
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-[2-(3-methylbutylsulfanyl)phenyl]-N-propylpropan-1-amine
CID 107750878
1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine
CID 43125390
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine
CID 60787472

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine (CID 43496442) is 1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine?
The InChIKey is AZAPZZIGZZJORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-7-11-19-18(8-2)16-10-9-15(13(3)4)12-17(16)14(5)6/h9-10,12-14,18-19H,7-8,11H2,1-6H3.
What are the key properties of 1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine?
1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.38, 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]-N-propylpropan-1-amine is sourced from PubChem (CID 43496442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).