N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine

C17H23N3 — CID 15319690

IUPACN-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine
SMILESNCCNCCCNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H23N3/c18-11-14-19-12-4-13-20-17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,19-20H,4,11-14,18H2
InChIKeyHFJRZJHJOYASLC-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.70
Rot. Bonds8

About N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine

N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine (PubChem CID 15319690) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine
PubChem CID15319690
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine
SMILESNCCNCCCNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H23N3/c18-11-14-19-12-4-13-20-17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,19-20H,4,11-14,18H2
InChIKeyHFJRZJHJOYASLC-UHFFFAOYSA-N
XLogP2.70
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine?
The IUPAC name of N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine (CID 15319690) is N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine.
What is the SMILES notation for N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine?
The canonical SMILES for N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine is NCCNCCCNc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine?
The InChIKey is HFJRZJHJOYASLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-11-14-19-12-4-13-20-17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,19-20H,4,11-14,18H2.
What are the key properties of N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine?
N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine has a molecular weight of 269.39 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine is sourced from PubChem (CID 15319690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).