1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine

C18H24N2 — CID 3025395

IUPAC1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine
SMILESCN(C)C(C)(CNCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-18(20(2)3,17-12-8-5-9-13-17)15-19-14-16-10-6-4-7-11-16/h4-13,19H,14-15H2,1-3H3
InChIKeyKAVNDXXDQVYJEU-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.25
Rot. Bonds6

About 1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine

1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine (PubChem CID 3025395) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine
PubChem CID3025395
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine
SMILESCN(C)C(C)(CNCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-18(20(2)3,17-12-8-5-9-13-17)15-19-14-16-10-6-4-7-11-16/h4-13,19H,14-15H2,1-3H3
InChIKeyKAVNDXXDQVYJEU-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine (CID 3025395) is 1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine is CN(C)C(C)(CNCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine?
The InChIKey is KAVNDXXDQVYJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(20(2)3,17-12-8-5-9-13-17)15-19-14-16-10-6-4-7-11-16/h4-13,19H,14-15H2,1-3H3.
What are the key properties of 1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine?
1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 3025395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).