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

C9H14N2 — CID 88759522

IUPAC1-N-methyl-1-N'-phenylethane-1,1-diamine
SMILESCNC(C)Nc1ccccc1
InChIInChI=1S/C9H14N2/c1-8(10-2)11-9-6-4-3-5-7-9/h3-8,10-11H,1-2H3
InChIKeyLLBAPFSDDWNBAG-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.66
Rot. Bonds3

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

1-N-methyl-1-N'-phenylethane-1,1-diamine (PubChem CID 88759522) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-N-methyl-1-N'-phenylethane-1,1-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N'-phenylethane-1,1-diamine
PubChem CID88759522
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-N-methyl-1-N'-phenylethane-1,1-diamine
SMILESCNC(C)Nc1ccccc1
InChIInChI=1S/C9H14N2/c1-8(10-2)11-9-6-4-3-5-7-9/h3-8,10-11H,1-2H3
InChIKeyLLBAPFSDDWNBAG-UHFFFAOYSA-N
XLogP1.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.66
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

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2-anilinopropanoic acid;hydrochloride
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N-(1-cyclopropyl-2-methylpropyl)aniline
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2-methyl-3-N-phenylbutane-2,3-diamine
CID 68860304
N',N"-diphenylmethanetriamine
CID 89357309
2-anilinopropanoate
CID 19754798
(2S)-3-methyl-2-N-phenylbutane-1,2-diamine
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(2R)-2-anilinopropanoate
CID 6946450

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N'-phenylethane-1,1-diamine?
The IUPAC name of 1-N-methyl-1-N'-phenylethane-1,1-diamine (CID 88759522) is 1-N-methyl-1-N'-phenylethane-1,1-diamine.
What is the SMILES notation for 1-N-methyl-1-N'-phenylethane-1,1-diamine?
The canonical SMILES for 1-N-methyl-1-N'-phenylethane-1,1-diamine is CNC(C)Nc1ccccc1.
What is the InChIKey of 1-N-methyl-1-N'-phenylethane-1,1-diamine?
The InChIKey is LLBAPFSDDWNBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8(10-2)11-9-6-4-3-5-7-9/h3-8,10-11H,1-2H3.
What are the key properties of 1-N-methyl-1-N'-phenylethane-1,1-diamine?
1-N-methyl-1-N'-phenylethane-1,1-diamine has a molecular weight of 150.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N'-phenylethane-1,1-diamine is sourced from PubChem (CID 88759522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).