2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride

C15H16ClNO2 — CID 87998810

IUPAC2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride
SMILESCl.O=CC(NCc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H15NO2.ClH/c17-11-15(13-6-8-14(18)9-7-13)16-10-12-4-2-1-3-5-12;/h1-9,11,15-16,18H,10H2;1H
InChIKeyRLNAYGAKYZDMCR-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.84
Rot. Bonds5

About 2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride

2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride (PubChem CID 87998810) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride.

Molecular Properties

Compound Name2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride
PubChem CID87998810
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride
SMILESCl.O=CC(NCc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H15NO2.ClH/c17-11-15(13-6-8-14(18)9-7-13)16-10-12-4-2-1-3-5-12;/h1-9,11,15-16,18H,10H2;1H
InChIKeyRLNAYGAKYZDMCR-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.84
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-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride
CID 139702369
4-[2-(benzylamino)-1-hydroxypropyl]phenol
CID 78021980
4-[(1R)-2-(benzylamino)-1-hydroxypropyl]phenol
CID 71176331
benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate
CID 140987113
4-hydroxy-N-(2-oxo-1-phenylethyl)benzamide
CID 19816469
4-(benzylamino)phenol;hydrochloride
CID 16738613
(1S)-N-benzyl-1-(4-nitrophenyl)prop-2-en-1-amine
CID 102210440
(2S,3R,4S,5R)-2-(benzylamino)-3,4,5,6-tetrahydroxyhexanal
CID 89051975
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde
CID 134382885
4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol
CID 43734643

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride?
The IUPAC name of 2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride (CID 87998810) is 2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride.
What is the SMILES notation for 2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride?
The canonical SMILES for 2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride is Cl.O=CC(NCc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride?
The InChIKey is RLNAYGAKYZDMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2.ClH/c17-11-15(13-6-8-14(18)9-7-13)16-10-12-4-2-1-3-5-12;/h1-9,11,15-16,18H,10H2;1H.
What are the key properties of 2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride?
2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride has a molecular weight of 277.75 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride is sourced from PubChem (CID 87998810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).