N,N'-diphenylpropane-1,3-diamine;hydrochloride

C15H19ClN2 — CID 68721632

IUPACN,N'-diphenylpropane-1,3-diamine;hydrochloride
SMILESCl.c1ccc(NCCCNc2ccccc2)cc1
InChIInChI=1S/C15H18N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-6,8-11,16-17H,7,12-13H2;1H
InChIKeyGFRLDEIGQQZLBX-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.02
Rot. Bonds6

About N,N'-diphenylpropane-1,3-diamine;hydrochloride

N,N'-diphenylpropane-1,3-diamine;hydrochloride (PubChem CID 68721632) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is N,N'-diphenylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN,N'-diphenylpropane-1,3-diamine;hydrochloride
PubChem CID68721632
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC NameN,N'-diphenylpropane-1,3-diamine;hydrochloride
SMILESCl.c1ccc(NCCCNc2ccccc2)cc1
InChIInChI=1S/C15H18N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-6,8-11,16-17H,7,12-13H2;1H
InChIKeyGFRLDEIGQQZLBX-UHFFFAOYSA-N
XLogP4.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 173012868
N-heptylaniline;hydrate
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Frequently Asked Questions

What is the IUPAC name of N,N'-diphenylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N,N'-diphenylpropane-1,3-diamine;hydrochloride (CID 68721632) is N,N'-diphenylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N,N'-diphenylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N,N'-diphenylpropane-1,3-diamine;hydrochloride is Cl.c1ccc(NCCCNc2ccccc2)cc1.
What is the InChIKey of N,N'-diphenylpropane-1,3-diamine;hydrochloride?
The InChIKey is GFRLDEIGQQZLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-6,8-11,16-17H,7,12-13H2;1H.
What are the key properties of N,N'-diphenylpropane-1,3-diamine;hydrochloride?
N,N'-diphenylpropane-1,3-diamine;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diphenylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 68721632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).