N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine

C15H25N — CID 43625326

IUPACN,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
SMILESCCC(C)C(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25N/c1-6-12(4)15(16-5)14-9-7-13(8-10-14)11(2)3/h7-12,15-16H,6H2,1-5H3
InChIKeyISJLTJMEGDGLRR-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.12
Rot. Bonds5

About N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine

N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine (PubChem CID 43625326) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
PubChem CID43625326
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
SMILESCCC(C)C(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25N/c1-6-12(4)15(16-5)14-9-7-13(8-10-14)11(2)3/h7-12,15-16H,6H2,1-5H3
InChIKeyISJLTJMEGDGLRR-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 43485559
2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 116721056
1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine
CID 79446498
2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 116723290
1-(3-iodophenyl)-N,2-dimethylbutan-1-amine
CID 105017535
1-[4-bromo-3-(trifluoromethyl)phenyl]-N,2-dimethylbutan-1-amine
CID 105017562
(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 93063130
N-(3-methylpentan-2-yl)-4-propan-2-ylaniline
CID 43101164
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66258012
1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine
CID 43484507
[1-(4-ethylphenyl)-2-methylbutyl]hydrazine
CID 105197447

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine (CID 43625326) is N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine is CCC(C)C(NC)c1ccc(C(C)C)cc1.
What is the InChIKey of N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine?
The InChIKey is ISJLTJMEGDGLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-12(4)15(16-5)14-9-7-13(8-10-14)11(2)3/h7-12,15-16H,6H2,1-5H3.
What are the key properties of N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine?
N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 43625326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).