2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine

C24H33N — CID 142171230

IUPAC2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine
SMILESC=C(C)NC(C)(C)CCc1ccc(CCCCc2ccccc2)cc1
InChIInChI=1S/C24H33N/c1-20(2)25-24(3,4)19-18-23-16-14-22(15-17-23)13-9-8-12-21-10-6-5-7-11-21/h5-7,10-11,14-17,25H,1,8-9,12-13,18-19H2,2-4H3
InChIKeyMAXOKRXOGSRILW-UHFFFAOYSA-N
MW335.54 g/mol
LogP6.09
Rot. Bonds10

About 2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine

2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine (PubChem CID 142171230) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine
PubChem CID142171230
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine
SMILESC=C(C)NC(C)(C)CCc1ccc(CCCCc2ccccc2)cc1
InChIInChI=1S/C24H33N/c1-20(2)25-24(3,4)19-18-23-16-14-22(15-17-23)13-9-8-12-21-10-6-5-7-11-21/h5-7,10-11,14-17,25H,1,8-9,12-13,18-19H2,2-4H3
InChIKeyMAXOKRXOGSRILW-UHFFFAOYSA-N
XLogP6.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide
CID 104863039
2-methyl-6-phenylhexan-2-ol
CID 12716611
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 107910587
2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine
CID 113236761
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide
CID 115606453
3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol
CID 101413425
27,27-dimethyloctacosylbenzene
CID 140589361
4-phenylbutylbenzene
CID 141301927
[2-acetamido-2-(acetyloxymethyl)-4-[4-(4-phenylbutyl)phenyl]butyl] acetate
CID 143349457
2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine?
The IUPAC name of 2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine (CID 142171230) is 2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine.
What is the SMILES notation for 2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine?
The canonical SMILES for 2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine is C=C(C)NC(C)(C)CCc1ccc(CCCCc2ccccc2)cc1.
What is the InChIKey of 2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine?
The InChIKey is MAXOKRXOGSRILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N/c1-20(2)25-24(3,4)19-18-23-16-14-22(15-17-23)13-9-8-12-21-10-6-5-7-11-21/h5-7,10-11,14-17,25H,1,8-9,12-13,18-19H2,2-4H3.
What are the key properties of 2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine?
2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine has a molecular weight of 335.54 g/mol, XLogP of 6.09, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine is sourced from PubChem (CID 142171230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).