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

C13H19Cl2N — CID 81492431

IUPAC1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2N/c1-4-9(2)7-13(16-3)10-5-6-11(14)12(15)8-10/h5-6,8-9,13,16H,4,7H2,1-3H3
InChIKeyFBSRSYSHAJXYPJ-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.69
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine (PubChem CID 81492431) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
PubChem CID81492431
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2N/c1-4-9(2)7-13(16-3)10-5-6-11(14)12(15)8-10/h5-6,8-9,13,16H,4,7H2,1-3H3
InChIKeyFBSRSYSHAJXYPJ-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 43486511
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 62716073
1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947987
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 115845717
1-(4-fluoro-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 62601206
1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine
CID 105138462
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
1-(3-iodophenyl)-N,3-dimethylpentan-1-amine
CID 115846380
1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 107562065

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine (CID 81492431) is 1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine is CCC(C)CC(NC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine?
The InChIKey is FBSRSYSHAJXYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-4-9(2)7-13(16-3)10-5-6-11(14)12(15)8-10/h5-6,8-9,13,16H,4,7H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine?
1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 81492431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).