2-(benzylamino)-4-hydroxybenzaldehyde

C14H13NO2 — CID 18624476

IUPAC2-(benzylamino)-4-hydroxybenzaldehyde
SMILESO=Cc1ccc(O)cc1NCc1ccccc1
InChIInChI=1S/C14H13NO2/c16-10-12-6-7-13(17)8-14(12)15-9-11-4-2-1-3-5-11/h1-8,10,15,17H,9H2
InChIKeyLJGIBNJRKMSMPE-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.82
Rot. Bonds4

About 2-(benzylamino)-4-hydroxybenzaldehyde

2-(benzylamino)-4-hydroxybenzaldehyde (PubChem CID 18624476) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(benzylamino)-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-(benzylamino)-4-hydroxybenzaldehyde
PubChem CID18624476
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-(benzylamino)-4-hydroxybenzaldehyde
SMILESO=Cc1ccc(O)cc1NCc1ccccc1
InChIInChI=1S/C14H13NO2/c16-10-12-6-7-13(17)8-14(12)15-9-11-4-2-1-3-5-11/h1-8,10,15,17H,9H2
InChIKeyLJGIBNJRKMSMPE-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(benzylamino)benzene-1,3-diol
CID 21321415
3-(benzylamino)-5-hydroxyfuran-2-carbaldehyde
CID 136817339
4-(benzylamino)-2-methoxybenzaldehyde
CID 54461880
2-(benzylamino)quinolin-7-ol
CID 137043038
4-(benzylamino)phenol;hydrochloride
CID 16738613
4-(benzylamino)-2,5-difluoro-3-methoxybenzaldehyde
CID 176960016
4-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 135541441
3-[[4-(benzylamino)-2,5-dioxopyrrol-3-yl]amino]-2-hydroxybenzaldehyde
CID 142234016
N-benzyl-2,3-dimethylaniline;formic acid
CID 175448541
benzaldehyde;N-benzylethanamine
CID 22227487
benzyl N-(5-fluoro-2-formylphenyl)carbamate
CID 123244128
1-benzyl-3-[(2,4-dihydroxyphenyl)methylideneamino]thiourea
CID 3445356

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-hydroxybenzaldehyde?
The IUPAC name of 2-(benzylamino)-4-hydroxybenzaldehyde (CID 18624476) is 2-(benzylamino)-4-hydroxybenzaldehyde.
What is the SMILES notation for 2-(benzylamino)-4-hydroxybenzaldehyde?
The canonical SMILES for 2-(benzylamino)-4-hydroxybenzaldehyde is O=Cc1ccc(O)cc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-4-hydroxybenzaldehyde?
The InChIKey is LJGIBNJRKMSMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-10-12-6-7-13(17)8-14(12)15-9-11-4-2-1-3-5-11/h1-8,10,15,17H,9H2.
What are the key properties of 2-(benzylamino)-4-hydroxybenzaldehyde?
2-(benzylamino)-4-hydroxybenzaldehyde has a molecular weight of 227.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-hydroxybenzaldehyde is sourced from PubChem (CID 18624476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).