1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine

C13H19Cl2N — CID 43175882

IUPAC1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine
SMILESCC(C)(C)C(N)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2N/c1-13(2,3)12(16)7-5-9-4-6-10(14)11(15)8-9/h4,6,8,12H,5,7,16H2,1-3H3
InChIKeyFRNOWBAJYWJVEQ-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.30
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine

1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine (PubChem CID 43175882) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine
PubChem CID43175882
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine
SMILESCC(C)(C)C(N)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2N/c1-13(2,3)12(16)7-5-9-4-6-10(14)11(15)8-9/h4,6,8,12H,5,7,16H2,1-3H3
InChIKeyFRNOWBAJYWJVEQ-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 79700883
1-(3,4-dichlorophenyl)pentan-3-amine
CID 43370516
1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene
CID 63460559
1,2-dichloro-4-(3-chlorobutyl)benzene
CID 63461279
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 79054154
4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine
CID 82541472
1-N-[2-(3,4-dichlorophenyl)ethyl]propane-1,2-diamine
CID 115196851
(1S,3R)-3-amino-1-(3,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237440
4-(4-chloro-3-methylphenyl)butan-2-amine
CID 130054284
1-(4-tert-butylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63415791
4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665023

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine (CID 43175882) is 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine is CC(C)(C)C(N)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine?
The InChIKey is FRNOWBAJYWJVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-13(2,3)12(16)7-5-9-4-6-10(14)11(15)8-9/h4,6,8,12H,5,7,16H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine?
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine has a molecular weight of 260.21 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 43175882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).