1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine

C16H25Cl2N — CID 107312099

IUPAC1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)CC(C)CC
InChIInChI=1S/C16H25Cl2N/c1-4-9-19-14(10-12(3)5-2)11-13-7-6-8-15(17)16(13)18/h6-8,12,14,19H,4-5,9-11H2,1-3H3
InChIKeyXJAWKPMBVQDXIZ-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.34
Rot. Bonds8

About 1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine

1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine (PubChem CID 107312099) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine
PubChem CID107312099
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)CC(C)CC
InChIInChI=1S/C16H25Cl2N/c1-4-9-19-14(10-12(3)5-2)11-13-7-6-8-15(17)16(13)18/h6-8,12,14,19H,4-5,9-11H2,1-3H3
InChIKeyXJAWKPMBVQDXIZ-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898
1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 107308478
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600
1-tert-butylsulfanyl-3-(2,3-dichlorophenyl)-N-propylpropan-2-amine
CID 107308668
1-(2,3-dichlorophenyl)-4-methylhexan-2-ol
CID 107312463
1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 102866601
1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine
CID 115841697
1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine
CID 63412621
1-(2,3-dichlorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309194
1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 107309012
3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine
CID 107307054

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine (CID 107312099) is 1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine is CCCNC(Cc1cccc(Cl)c1Cl)CC(C)CC.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine?
The InChIKey is XJAWKPMBVQDXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-4-9-19-14(10-12(3)5-2)11-13-7-6-8-15(17)16(13)18/h6-8,12,14,19H,4-5,9-11H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine?
1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine has a molecular weight of 302.29 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 107312099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).