3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine

C13H19Cl2N — CID 62622579

IUPAC3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(N)(Cc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C13H19Cl2N/c1-4-13(16,9(2)3)8-10-5-6-11(14)12(15)7-10/h5-7,9H,4,8,16H2,1-3H3
InChIKeyXSVDCJLYQCAWEE-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.30
Rot. Bonds4

About 3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine

3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine (PubChem CID 62622579) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine
PubChem CID62622579
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(N)(Cc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C13H19Cl2N/c1-4-13(16,9(2)3)8-10-5-6-11(14)12(15)7-10/h5-7,9H,4,8,16H2,1-3H3
InChIKeyXSVDCJLYQCAWEE-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159839
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149411
5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717640
1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine
CID 84752722
2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523051
1-(3,4-dichlorophenyl)-3-methylhexan-2-amine
CID 63528315
1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 103039245
4-(2-bromo-3-methylhexyl)-1,2-dichlorobenzene
CID 63529922
4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene
CID 63529593
diethyl 2-[(3,4-dichlorophenyl)methyl]-2-methylpropanedioate
CID 103972592
4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
CID 81014897

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine (CID 62622579) is 3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine is CCC(N)(Cc1ccc(Cl)c(Cl)c1)C(C)C.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine?
The InChIKey is XSVDCJLYQCAWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-4-13(16,9(2)3)8-10-5-6-11(14)12(15)7-10/h5-7,9H,4,8,16H2,1-3H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine?
3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine has a molecular weight of 260.21 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine is sourced from PubChem (CID 62622579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).