N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine

C15H25N — CID 79018604

IUPACN,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
SMILESCNCCC(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25N/c1-12(2)15-7-5-14(6-8-15)11-13(3)9-10-16-4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyFEDOPKHGJLOFFB-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.60
Rot. Bonds6

About N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine

N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine (PubChem CID 79018604) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
PubChem CID79018604
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
SMILESCNCCC(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25N/c1-12(2)15-7-5-14(6-8-15)11-13(3)9-10-16-4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyFEDOPKHGJLOFFB-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81019029
1-(3-bromo-2-methylpropyl)-4-propan-2-ylbenzene
CID 64670401
4-methyl-5-(4-propan-2-ylphenyl)pentan-2-amine
CID 64718514
5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine
CID 65304680
N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63496736
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 65092154
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 115844350
2-[(3Z)-3-ethenylhexa-1,3,5-trien-2-yl]-1-methyl-4-propan-2-ylbenzene;4-(3-ethyl-4-methylphenyl)-N,3-dimethylbutan-1-amine
CID 143458226
5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine
CID 105137006

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine (CID 79018604) is N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine is CNCCC(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine?
The InChIKey is FEDOPKHGJLOFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12(2)15-7-5-14(6-8-15)11-13(3)9-10-16-4/h5-8,12-13,16H,9-11H2,1-4H3.
What are the key properties of N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine?
N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 79018604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).