N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine

C18H24N2 — CID 54807226

IUPACN-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine
SMILESCCC(NCCNCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-2-18(17-11-7-4-8-12-17)20-14-13-19-15-16-9-5-3-6-10-16/h3-12,18-20H,2,13-15H2,1H3
InChIKeyIXGMTIVVFRXKQN-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.52
Rot. Bonds8

About N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine

N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine (PubChem CID 54807226) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine
PubChem CID54807226
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine
SMILESCCC(NCCNCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-2-18(17-11-7-4-8-12-17)20-14-13-19-15-16-9-5-3-6-10-16/h3-12,18-20H,2,13-15H2,1H3
InChIKeyIXGMTIVVFRXKQN-UHFFFAOYSA-N
XLogP3.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.52
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

N'-(1-phenylpropyl)-N-propylethane-1,2-diamine
CID 54810053
N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54809598
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
N-(1-phenylpropyl)but-3-yn-1-amine
CID 63654885
N-[(4-cyclopropylphenyl)methyl]-1-phenylpropan-1-amine
CID 79979602
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869
N-benzyl-2-phenylbutan-1-amine
CID 60658494
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
5-(1-phenylpropylamino)pentan-1-ol
CID 62305220
2-[(1-phenylpropylamino)methyl]phenol
CID 62305715
1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine
CID 43096991
3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
CID 20642678

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine?
The IUPAC name of N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine (CID 54807226) is N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine is CCC(NCCNCc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine?
The InChIKey is IXGMTIVVFRXKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-18(17-11-7-4-8-12-17)20-14-13-19-15-16-9-5-3-6-10-16/h3-12,18-20H,2,13-15H2,1H3.
What are the key properties of N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine?
N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 54807226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).