2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine

C18H24N2 — CID 85168205

IUPAC2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine
SMILESCC(NCc1ccccc1)C(C)N(C)c1ccccc1
InChIInChI=1S/C18H24N2/c1-15(19-14-17-10-6-4-7-11-17)16(2)20(3)18-12-8-5-9-13-18/h4-13,15-16,19H,14H2,1-3H3
InChIKeyXIYWFKFHUMXIER-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.69
Rot. Bonds6

About 2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine

2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine (PubChem CID 85168205) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine.

Molecular Properties

Compound Name2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine
PubChem CID85168205
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine
SMILESCC(NCc1ccccc1)C(C)N(C)c1ccccc1
InChIInChI=1S/C18H24N2/c1-15(19-14-17-10-6-4-7-11-17)16(2)20(3)18-12-8-5-9-13-18/h4-13,15-16,19H,14H2,1-3H3
InChIKeyXIYWFKFHUMXIER-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R,3R)-N-benzyl-3-phenylbutan-2-amine
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CID 28611871
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N-benzyl-2-deuterio-3-methylbutan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine?
The IUPAC name of 2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine (CID 85168205) is 2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine.
What is the SMILES notation for 2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine?
The canonical SMILES for 2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine is CC(NCc1ccccc1)C(C)N(C)c1ccccc1.
What is the InChIKey of 2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine?
The InChIKey is XIYWFKFHUMXIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15(19-14-17-10-6-4-7-11-17)16(2)20(3)18-12-8-5-9-13-18/h4-13,15-16,19H,14H2,1-3H3.
What are the key properties of 2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine?
2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-3-N-methyl-3-N-phenylbutane-2,3-diamine is sourced from PubChem (CID 85168205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).