N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine

C14H15Cl2N3 — CID 80507400

IUPACN'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine
SMILESNC(CCNc1ncc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C14H15Cl2N3/c15-11-8-12(16)14(19-9-11)18-7-6-13(17)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7,17H2,(H,18,19)
InChIKeyCLEMJDOJIHNSMJ-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.89
Rot. Bonds5

About N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine

N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine (PubChem CID 80507400) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine
PubChem CID80507400
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC NameN'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine
SMILESNC(CCNc1ncc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C14H15Cl2N3/c15-11-8-12(16)14(19-9-11)18-7-6-13(17)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7,17H2,(H,18,19)
InChIKeyCLEMJDOJIHNSMJ-UHFFFAOYSA-N
XLogP3.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine (CID 80507400) is N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine is NC(CCNc1ncc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine?
The InChIKey is CLEMJDOJIHNSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c15-11-8-12(16)14(19-9-11)18-7-6-13(17)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7,17H2,(H,18,19).
What are the key properties of N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine?
N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine has a molecular weight of 296.20 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 80507400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).