2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol

C19H26N2O2 — CID 151436293

IUPAC2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
SMILESCC(CCc1ccccc1)NCC(O)c1ccc(O)c(CN)c1
InChIInChI=1S/C19H26N2O2/c1-14(7-8-15-5-3-2-4-6-15)21-13-19(23)16-9-10-18(22)17(11-16)12-20/h2-6,9-11,14,19,21-23H,7-8,12-13,20H2,1H3
InChIKeyKYYPIWRYXZLTDK-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.50
Rot. Bonds8

About 2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol

2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol (PubChem CID 151436293) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
PubChem CID151436293
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
SMILESCC(CCc1ccccc1)NCC(O)c1ccc(O)c(CN)c1
InChIInChI=1S/C19H26N2O2/c1-14(7-8-15-5-3-2-4-6-15)21-13-19(23)16-9-10-18(22)17(11-16)12-20/h2-6,9-11,14,19,21-23H,7-8,12-13,20H2,1H3
InChIKeyKYYPIWRYXZLTDK-UHFFFAOYSA-N
XLogP2.50
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452
1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
CID 60981253
2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol
CID 163864065
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 14010333
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrobromide
CID 173443354
1-(3-nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
CID 547333
5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 12814711
1-(3-nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol chloride
CID 53350784
2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide
CID 13116906
2-(hydroxymethyl)-4-[1-hydroxy-2-(3-phenylpropylamino)ethyl]phenol
CID 173131334
methyl 4-[3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 12814758

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol?
The IUPAC name of 2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol (CID 151436293) is 2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol?
The canonical SMILES for 2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol is CC(CCc1ccccc1)NCC(O)c1ccc(O)c(CN)c1.
What is the InChIKey of 2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol?
The InChIKey is KYYPIWRYXZLTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14(7-8-15-5-3-2-4-6-15)21-13-19(23)16-9-10-18(22)17(11-16)12-20/h2-6,9-11,14,19,21-23H,7-8,12-13,20H2,1H3.
What are the key properties of 2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol?
2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol has a molecular weight of 314.43 g/mol, XLogP of 2.50, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 151436293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).