2-phenylethanimidamide

C8H10N2 — CID 27787

IUPAC2-phenylethanimidamide
SMILES[H]/N=C(\N)Cc1ccccc1
InChIInChI=1S/C8H10N2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10)
InChIKeyJTNCEQNHURODLX-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.17
Rot. Bonds2

About 2-phenylethanimidamide

2-phenylethanimidamide (PubChem CID 27787) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-phenylethanimidamide.

Molecular Properties

Compound Name2-phenylethanimidamide
PubChem CID27787
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-phenylethanimidamide
SMILES[H]/N=C(\N)Cc1ccccc1
InChIInChI=1S/C8H10N2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10)
InChIKeyJTNCEQNHURODLX-UHFFFAOYSA-N
XLogP1.17
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-pyridin-4-ylethanimidamide
CID 5078674
2-(4-bromophenyl)ethanimidamide;hydrochloride
CID 21499748
2-[3-(2-aminoethyl)phenyl]ethanimidamide
CID 55252678
2-[4-(methylamino)phenyl]ethanimidamide
CID 161445184
2-[4-(2-methylpropyl)phenyl]ethanimidamide
CID 58177919
[1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium
CID 140688166
2-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 5014974
2-(1-phenylpyrazol-4-yl)ethanimidamide
CID 83880704
(2S)-2-amino-3-[4-(2-amino-2-iminoethyl)phenyl]propanoic acid
CID 138546911
2-phenylethanimidate
CID 23369568
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417

Frequently Asked Questions

What is the IUPAC name of 2-phenylethanimidamide?
The IUPAC name of 2-phenylethanimidamide (CID 27787) is 2-phenylethanimidamide.
What is the SMILES notation for 2-phenylethanimidamide?
The canonical SMILES for 2-phenylethanimidamide is [H]/N=C(\N)Cc1ccccc1.
What is the InChIKey of 2-phenylethanimidamide?
The InChIKey is JTNCEQNHURODLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10).
What are the key properties of 2-phenylethanimidamide?
2-phenylethanimidamide has a molecular weight of 134.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethanimidamide is sourced from PubChem (CID 27787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).