methyl(1-phenylethyl)cyanamide

C10H12N2 — CID 117029364

IUPACmethyl(1-phenylethyl)cyanamide
SMILESCC(c1ccccc1)N(C)C#N
InChIInChI=1S/C10H12N2/c1-9(12(2)8-11)10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKeyTWLFBQUTZQPPNV-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.16
Rot. Bonds2

About methyl(1-phenylethyl)cyanamide

methyl(1-phenylethyl)cyanamide (PubChem CID 117029364) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is methyl(1-phenylethyl)cyanamide.

Molecular Properties

Compound Namemethyl(1-phenylethyl)cyanamide
PubChem CID117029364
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Namemethyl(1-phenylethyl)cyanamide
SMILESCC(c1ccccc1)N(C)C#N
InChIInChI=1S/C10H12N2/c1-9(12(2)8-11)10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKeyTWLFBQUTZQPPNV-UHFFFAOYSA-N
XLogP2.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
(1R)-N-methanidyl-N-methyl-1-phenylethanamine
CID 59297896
acetonitrile;cumene
CID 141203612
ethane;2-phenylpropanenitrile
CID 91366777
methyl(1-phenylethyl)carbamic acid
CID 67062794
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-2-phenylacetonitrile
CID 10333884
3-[3-hydroxybutyl(methyl)amino]-3-phenylpropanenitrile
CID 113499592
4-(dimethylamino)-4-phenylbutanenitrile
CID 116910022
4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline
CID 50900534
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292

Frequently Asked Questions

What is the IUPAC name of methyl(1-phenylethyl)cyanamide?
The IUPAC name of methyl(1-phenylethyl)cyanamide (CID 117029364) is methyl(1-phenylethyl)cyanamide.
What is the SMILES notation for methyl(1-phenylethyl)cyanamide?
The canonical SMILES for methyl(1-phenylethyl)cyanamide is CC(c1ccccc1)N(C)C#N.
What is the InChIKey of methyl(1-phenylethyl)cyanamide?
The InChIKey is TWLFBQUTZQPPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-9(12(2)8-11)10-6-4-3-5-7-10/h3-7,9H,1-2H3.
What are the key properties of methyl(1-phenylethyl)cyanamide?
methyl(1-phenylethyl)cyanamide has a molecular weight of 160.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(1-phenylethyl)cyanamide is sourced from PubChem (CID 117029364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).