4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine

C12H17Cl2N — CID 81014897

IUPAC4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
SMILESCC(CN)C(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N/c1-8(9(2)7-15)5-10-3-4-11(13)12(14)6-10/h3-4,6,8-9H,5,7,15H2,1-2H3
InChIKeyZVBLQOMLDZYVDA-UHFFFAOYSA-N
MW246.18 g/mol
LogP3.77
Rot. Bonds4

About 4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine

4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine (PubChem CID 81014897) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
PubChem CID81014897
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
SMILESCC(CN)C(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N/c1-8(9(2)7-15)5-10-3-4-11(13)12(14)6-10/h3-4,6,8-9H,5,7,15H2,1-2H3
InChIKeyZVBLQOMLDZYVDA-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene
CID 63559736
2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81014991
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
1-(3,4-dichlorophenyl)-3-methylhexan-2-amine
CID 63528315
4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene
CID 63529593
(2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine
CID 95964233
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619
[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105210893
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
4-(2-bromo-3-methylhexyl)-1,2-dichlorobenzene
CID 63529922
[1-(3,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198848
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine (CID 81014897) is 4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine is CC(CN)C(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine?
The InChIKey is ZVBLQOMLDZYVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-8(9(2)7-15)5-10-3-4-11(13)12(14)6-10/h3-4,6,8-9H,5,7,15H2,1-2H3.
What are the key properties of 4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine?
4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine has a molecular weight of 246.18 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 81014897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).