2-(benzylamino)benzenecarboximidamide

C14H15N3 — CID 82253277

IUPAC2-(benzylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1NCc1ccccc1
InChIInChI=1S/C14H15N3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H3,15,16)
InChIKeyQCDISERKGCIPEC-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.58
Rot. Bonds4

About 2-(benzylamino)benzenecarboximidamide

2-(benzylamino)benzenecarboximidamide (PubChem CID 82253277) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-(benzylamino)benzenecarboximidamide.

Molecular Properties

Compound Name2-(benzylamino)benzenecarboximidamide
PubChem CID82253277
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name2-(benzylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1NCc1ccccc1
InChIInChI=1S/C14H15N3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H3,15,16)
InChIKeyQCDISERKGCIPEC-UHFFFAOYSA-N
XLogP2.58
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

4-[(2-carbamimidoylanilino)methyl]benzoic acid
CID 82253624
4-[(2-carbamimidoylanilino)methyl]benzoic acid;hydrochloride
CID 82253623
2-(benzylamino)-6-fluorobenzenecarboximidamide
CID 82253404
N-benzyl-2-(1-phenylethenyl)aniline
CID 132548743
4-(2-carbamimidoylanilino)-4-oxobutanoic acid
CID 54028141
(2E,4Z)-6-[2-(benzylamino)phenyl]-6-imino-2-methylhexa-2,4-diene-1,5-diol
CID 163719180
2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide
CID 162531322
3-(benzylamino)-2-phenylbenzamide;dihydrochloride
CID 174723239
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
(Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide
CID 145043426
ethyl 3-(benzylamino)-2-methylbenzoate
CID 5127212

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)benzenecarboximidamide?
The IUPAC name of 2-(benzylamino)benzenecarboximidamide (CID 82253277) is 2-(benzylamino)benzenecarboximidamide.
What is the SMILES notation for 2-(benzylamino)benzenecarboximidamide?
The canonical SMILES for 2-(benzylamino)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)benzenecarboximidamide?
The InChIKey is QCDISERKGCIPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H3,15,16).
What are the key properties of 2-(benzylamino)benzenecarboximidamide?
2-(benzylamino)benzenecarboximidamide has a molecular weight of 225.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)benzenecarboximidamide is sourced from PubChem (CID 82253277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).