2-(2,5-dichlorophenyl)-N-propylhexan-3-amine

C15H23Cl2N — CID 83051537

IUPAC2-(2,5-dichlorophenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)C(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2N/c1-4-6-15(18-9-5-2)11(3)13-10-12(16)7-8-14(13)17/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyFAWPOMTZIRZNDO-UHFFFAOYSA-N
MW288.26 g/mol
LogP5.27
Rot. Bonds7

About 2-(2,5-dichlorophenyl)-N-propylhexan-3-amine

2-(2,5-dichlorophenyl)-N-propylhexan-3-amine (PubChem CID 83051537) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-propylhexan-3-amine
PubChem CID83051537
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name2-(2,5-dichlorophenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)C(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2N/c1-4-6-15(18-9-5-2)11(3)13-10-12(16)7-8-14(13)17/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyFAWPOMTZIRZNDO-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine
CID 62791896
1-(2,5-dichlorophenyl)-N-propylprop-2-en-1-amine
CID 105001064
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
2-(2,5-dichlorophenyl)-N-propylpropan-1-amine
CID 66436500
2-(2,3-difluorophenyl)-N-propylhexan-3-amine
CID 114059600
1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
CID 43486635
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
1-(2,5-dichlorophenyl)-2-methylpentan-1-amine
CID 43167292
1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 114099692
N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 43497673

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-propylhexan-3-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-propylhexan-3-amine (CID 83051537) is 2-(2,5-dichlorophenyl)-N-propylhexan-3-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-propylhexan-3-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-propylhexan-3-amine is CCCNC(CCC)C(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-propylhexan-3-amine?
The InChIKey is FAWPOMTZIRZNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-4-6-15(18-9-5-2)11(3)13-10-12(16)7-8-14(13)17/h7-8,10-11,15,18H,4-6,9H2,1-3H3.
What are the key properties of 2-(2,5-dichlorophenyl)-N-propylhexan-3-amine?
2-(2,5-dichlorophenyl)-N-propylhexan-3-amine has a molecular weight of 288.26 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-propylhexan-3-amine is sourced from PubChem (CID 83051537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).