2-benzyl-3-phenylprop-1-ene-1,1-diamine

C16H18N2 — CID 23499817

IUPAC2-benzyl-3-phenylprop-1-ene-1,1-diamine
SMILESNC(N)=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H18N2/c17-16(18)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12,17-18H2
InChIKeyGYNUVTRGMDMQQM-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.60
Rot. Bonds4

About 2-benzyl-3-phenylprop-1-ene-1,1-diamine

2-benzyl-3-phenylprop-1-ene-1,1-diamine (PubChem CID 23499817) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-benzyl-3-phenylprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name2-benzyl-3-phenylprop-1-ene-1,1-diamine
PubChem CID23499817
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-benzyl-3-phenylprop-1-ene-1,1-diamine
SMILESNC(N)=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H18N2/c17-16(18)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12,17-18H2
InChIKeyGYNUVTRGMDMQQM-UHFFFAOYSA-N
XLogP2.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1,3-diphenylpropan-2-ylidenezirconium(2+)
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-phenylprop-1-ene-1,1-diamine?
The IUPAC name of 2-benzyl-3-phenylprop-1-ene-1,1-diamine (CID 23499817) is 2-benzyl-3-phenylprop-1-ene-1,1-diamine.
What is the SMILES notation for 2-benzyl-3-phenylprop-1-ene-1,1-diamine?
The canonical SMILES for 2-benzyl-3-phenylprop-1-ene-1,1-diamine is NC(N)=C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-phenylprop-1-ene-1,1-diamine?
The InChIKey is GYNUVTRGMDMQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c17-16(18)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12,17-18H2.
What are the key properties of 2-benzyl-3-phenylprop-1-ene-1,1-diamine?
2-benzyl-3-phenylprop-1-ene-1,1-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-phenylprop-1-ene-1,1-diamine is sourced from PubChem (CID 23499817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).