N'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide

C16H19N3O — CID 164612169

IUPACN'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide
SMILESN/C(=N\CCC(O)c1ccccc1N)c1ccccc1
InChIInChI=1S/C16H19N3O/c17-14-9-5-4-8-13(14)15(20)10-11-19-16(18)12-6-2-1-3-7-12/h1-9,15,20H,10-11,17H2,(H2,18,19)
InChIKeyOJKRZGJRUOAGPO-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.10
Rot. Bonds5

About N'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide

N'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide (PubChem CID 164612169) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide
PubChem CID164612169
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide
SMILESN/C(=N\CCC(O)c1ccccc1N)c1ccccc1
InChIInChI=1S/C16H19N3O/c17-14-9-5-4-8-13(14)15(20)10-11-19-16(18)12-6-2-1-3-7-12/h1-9,15,20H,10-11,17H2,(H2,18,19)
InChIKeyOJKRZGJRUOAGPO-UHFFFAOYSA-N
XLogP2.10
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Aminobenzhydrol
CID 270810
3-(4-tert-butylphenyl)-N'-(4-fluorophenyl)-3-hydroxypropanimidamide
CID 168297987
N',3-bis(4-tert-butylphenyl)-3-hydroxypropanimidamide
CID 168299372
N'-[3-(2-aminophenyl)-3-hydroxypropyl]-4-chlorobenzenecarboximidamide
CID 164613048
N'-[3-(2-aminophenyl)-3-hydroxypropyl]-4-(trifluoromethyl)benzenecarboximidamide
CID 164616258
N'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide
CID 164623471
3-Hydroxy-2-iminoindoline
CID 57468120
Bis(2-aminophenyl)methanol
CID 70409362
Vibegron Impurity 71
CID 71606626
(R)-[5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol
CID 137412829
2-(aminomethylidene)-4-(aminomethylideneamino)-N-ethyl-4-[4-fluoro-2-(1-hydroxyethyl)phenyl]iminobutanimidoyl bromide
CID 173981607
1-[2-(Benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol
CID 11652870

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide?
The IUPAC name of N'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide (CID 164612169) is N'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide.
What is the SMILES notation for N'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide?
The canonical SMILES for N'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide is N/C(=N\CCC(O)c1ccccc1N)c1ccccc1.
What is the InChIKey of N'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide?
The InChIKey is OJKRZGJRUOAGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-14-9-5-4-8-13(14)15(20)10-11-19-16(18)12-6-2-1-3-7-12/h1-9,15,20H,10-11,17H2,(H2,18,19).
What are the key properties of N'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide?
N'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide has a molecular weight of 269.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-aminophenyl)-3-hydroxypropyl]benzenecarboximidamide is sourced from PubChem (CID 164612169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).