2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine

C17H20Cl2N2 — CID 79432117

IUPAC2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccncc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H20Cl2N2/c1-2-8-20-11-15(13-3-5-16(18)6-4-13)10-14-7-9-21-12-17(14)19/h3-7,9,12,15,20H,2,8,10-11H2,1H3
InChIKeyVULBAJOCJFMGGA-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.71
Rot. Bonds7

About 2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine

2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine (PubChem CID 79432117) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
PubChem CID79432117
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccncc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H20Cl2N2/c1-2-8-20-11-15(13-3-5-16(18)6-4-13)10-14-7-9-21-12-17(14)19/h3-7,9,12,15,20H,2,8,10-11H2,1H3
InChIKeyVULBAJOCJFMGGA-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79433408
2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79430229
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 79432118
3-(2-chlorophenyl)-2-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79432134
3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine
CID 79437272
2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79438121
3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439464
2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053398
2-(4-chlorophenyl)-N-propyloctan-1-amine
CID 79437453
2-(4-chlorophenyl)-N-propylnonan-1-amine
CID 79438605
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79442168
3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569757

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine (CID 79432117) is 2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine is CCCNCC(Cc1ccncc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine?
The InChIKey is VULBAJOCJFMGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-2-8-20-11-15(13-3-5-16(18)6-4-13)10-14-7-9-21-12-17(14)19/h3-7,9,12,15,20H,2,8,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine?
2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine has a molecular weight of 323.27 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine is sourced from PubChem (CID 79432117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).