1-(2,3-dichlorophenyl)-N-propylbutan-2-amine

C13H19Cl2N — CID 107308434

IUPAC1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-8-16-11(4-2)9-10-6-5-7-12(14)13(10)15/h5-7,11,16H,3-4,8-9H2,1-2H3
InChIKeyAYFZTMPSZWHANN-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.31
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-N-propylbutan-2-amine

1-(2,3-dichlorophenyl)-N-propylbutan-2-amine (PubChem CID 107308434) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
PubChem CID107308434
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-8-16-11(4-2)9-10-6-5-7-12(14)13(10)15/h5-7,11,16H,3-4,8-9H2,1-2H3
InChIKeyAYFZTMPSZWHANN-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine
CID 107312099
1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 107308478
1-tert-butylsulfanyl-3-(2,3-dichlorophenyl)-N-propylpropan-2-amine
CID 107308668
1-(2,3-dichlorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309194
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 107312354
1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107308560
1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 107309012
N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107308428
N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 107308457
3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine
CID 107307054
1-(2,3-dichlorophenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 107308776
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-propylbutan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-propylbutan-2-amine (CID 107308434) is 1-(2,3-dichlorophenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-propylbutan-2-amine is CCCNC(CC)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-propylbutan-2-amine?
The InChIKey is AYFZTMPSZWHANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-3-8-16-11(4-2)9-10-6-5-7-12(14)13(10)15/h5-7,11,16H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-propylbutan-2-amine?
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine has a molecular weight of 260.21 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-propylbutan-2-amine is sourced from PubChem (CID 107308434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).