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

C19H33N — CID 43484494

IUPAC1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C19H33N/c1-13(2)8-11-19(20-7)17-10-9-16(14(3)4)12-18(17)15(5)6/h9-10,12-15,19-20H,8,11H2,1-7H3
InChIKeyHOCRVDSDHSNBCZ-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.63
Rot. Bonds7

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

1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine (PubChem CID 43484494) 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]-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine
PubChem CID43484494
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C19H33N/c1-13(2)8-11-19(20-7)17-10-9-16(14(3)4)12-18(17)15(5)6/h9-10,12-15,19-20H,8,11H2,1-7H3
InChIKeyHOCRVDSDHSNBCZ-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-(4-iodophenyl)-N,4-dimethylpentan-1-amine
CID 115834286
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-propylpropan-1-amine
CID 43496442
1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine
CID 116948411
1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine
CID 62946027
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 116855714
1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834684
1-(2-fluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 62790209
1-(2-bromo-3,4-difluorophenyl)-N,4-dimethylpentan-1-amine
CID 107538949
1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine
CID 43482360
1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
CID 79647158
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]-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine (CID 43484494) is 1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine is CNC(CCC(C)C)c1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine?
The InChIKey is HOCRVDSDHSNBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-13(2)8-11-19(20-7)17-10-9-16(14(3)4)12-18(17)15(5)6/h9-10,12-15,19-20H,8,11H2,1-7H3.
What are the key properties of 1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine?
1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-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]-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 43484494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).