1-N'-methyl-1-phenylethane-1,1-diamine

C9H14N2 — CID 143337584

IUPAC1-N'-methyl-1-phenylethane-1,1-diamine
SMILESCNC(C)(N)c1ccccc1
InChIInChI=1S/C9H14N2/c1-9(10,11-2)8-6-4-3-5-7-8/h3-7,11H,10H2,1-2H3
InChIKeyVBDJWCSAQARLJX-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.04
Rot. Bonds2

About 1-N'-methyl-1-phenylethane-1,1-diamine

1-N'-methyl-1-phenylethane-1,1-diamine (PubChem CID 143337584) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-N'-methyl-1-phenylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-methyl-1-phenylethane-1,1-diamine
PubChem CID143337584
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-N'-methyl-1-phenylethane-1,1-diamine
SMILESCNC(C)(N)c1ccccc1
InChIInChI=1S/C9H14N2/c1-9(10,11-2)8-6-4-3-5-7-8/h3-7,11H,10H2,1-2H3
InChIKeyVBDJWCSAQARLJX-UHFFFAOYSA-N
XLogP1.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diphenylethanamine
CID 12761172
N-(1-amino-1-phenylethyl)methanesulfonamide
CID 174630442
1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 134968939
1,1-difluoro-N-methyl-2-phenylpropan-2-amine
CID 80604912
(1R)-1-iodo-1-phenylethanamine
CID 68727841
2,3-dimethyl-3-phenylbutan-2-amine
CID 54449592
(2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride
CID 67693696
(2S)-2-phenylbutane-2,3-diamine
CID 175403934
1,1-difluoroethylbenzene
CID 10942535
methylamino(phenyl)methanediol
CID 89244016
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456

Frequently Asked Questions

What is the IUPAC name of 1-N'-methyl-1-phenylethane-1,1-diamine?
The IUPAC name of 1-N'-methyl-1-phenylethane-1,1-diamine (CID 143337584) is 1-N'-methyl-1-phenylethane-1,1-diamine.
What is the SMILES notation for 1-N'-methyl-1-phenylethane-1,1-diamine?
The canonical SMILES for 1-N'-methyl-1-phenylethane-1,1-diamine is CNC(C)(N)c1ccccc1.
What is the InChIKey of 1-N'-methyl-1-phenylethane-1,1-diamine?
The InChIKey is VBDJWCSAQARLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-9(10,11-2)8-6-4-3-5-7-8/h3-7,11H,10H2,1-2H3.
What are the key properties of 1-N'-methyl-1-phenylethane-1,1-diamine?
1-N'-methyl-1-phenylethane-1,1-diamine has a molecular weight of 150.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methyl-1-phenylethane-1,1-diamine is sourced from PubChem (CID 143337584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).