N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide

C14H15N3O — CID 54093932

IUPACN'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide
SMILESNN=C(N)c1ccccc1-c1ccc(CO)cc1
InChIInChI=1S/C14H15N3O/c15-14(17-16)13-4-2-1-3-12(13)11-7-5-10(9-18)6-8-11/h1-8,18H,9,16H2,(H2,15,17)
InChIKeyMVTRPXNYQNZLQR-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.42
Rot. Bonds3

About N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide

N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide (PubChem CID 54093932) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide
PubChem CID54093932
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide
SMILESNN=C(N)c1ccccc1-c1ccc(CO)cc1
InChIInChI=1S/C14H15N3O/c15-14(17-16)13-4-2-1-3-12(13)11-7-5-10(9-18)6-8-11/h1-8,18H,9,16H2,(H2,15,17)
InChIKeyMVTRPXNYQNZLQR-UHFFFAOYSA-N
XLogP1.42
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide
CID 143686503
N-[[4-[2-[(Z)-C-aminocarbonohydrazonoyl]phenyl]phenyl]methyl]-N-[(2S)-1-amino-3-oxopropan-2-yl]pentanamide
CID 126671892
2-(4-methylphenyl)-N'-phenylbenzenecarboximidamide
CID 152558891
N-[[4-[2-[(Z)-C-aminocarbonohydrazonoyl]phenyl]phenyl]methyl]-N-[(2S)-3-amino-1-oxobutan-2-yl]pentanamide
CID 145267743
methyl 2-[[4-[2-[(Z)-C-aminocarbonohydrazonoyl]phenyl]phenyl]methyl-pentanoylamino]-3-methylbutanoate
CID 144597321
3-[[4-[2-[(Z)-C-aminocarbonohydrazonoyl]phenyl]phenyl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid
CID 143701483
N',2-diaminobenzenecarboximidamide
CID 10307874
methanethioyloxymethyl 2-[4-(hydroxymethyl)phenyl]benzoate
CID 21464234
N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide
CID 18771509
2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide
CID 118916827
N'-amino-2-ethylbenzenecarboximidamide
CID 54190034
N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide
CID 129205464

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide?
The IUPAC name of N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide (CID 54093932) is N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide.
What is the SMILES notation for N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide?
The canonical SMILES for N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide is NN=C(N)c1ccccc1-c1ccc(CO)cc1.
What is the InChIKey of N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide?
The InChIKey is MVTRPXNYQNZLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(17-16)13-4-2-1-3-12(13)11-7-5-10(9-18)6-8-11/h1-8,18H,9,16H2,(H2,15,17).
What are the key properties of N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide?
N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide has a molecular weight of 241.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide is sourced from PubChem (CID 54093932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).