2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine

C18H24N2 — CID 65483135

IUPAC2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
SMILESCN(CCc1ccccc1)C(CN)Cc1ccccc1
InChIInChI=1S/C18H24N2/c1-20(13-12-16-8-4-2-5-9-16)18(15-19)14-17-10-6-3-7-11-17/h2-11,18H,12-15,19H2,1H3
InChIKeyQSEIPTCJEKUDIA-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.73
Rot. Bonds7

About 2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine

2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine (PubChem CID 65483135) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
PubChem CID65483135
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
SMILESCN(CCc1ccccc1)C(CN)Cc1ccccc1
InChIInChI=1S/C18H24N2/c1-20(13-12-16-8-4-2-5-9-16)18(15-19)14-17-10-6-3-7-11-17/h2-11,18H,12-15,19H2,1H3
InChIKeyQSEIPTCJEKUDIA-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine (CID 65483135) is 2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine is CN(CCc1ccccc1)C(CN)Cc1ccccc1.
What is the InChIKey of 2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine?
The InChIKey is QSEIPTCJEKUDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-20(13-12-16-8-4-2-5-9-16)18(15-19)14-17-10-6-3-7-11-17/h2-11,18H,12-15,19H2,1H3.
What are the key properties of 2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine?
2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine is sourced from PubChem (CID 65483135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).