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

C19H26N2O4 — CID 163864065

IUPAC2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol
SMILESCOc1ccccc1OCC(C)NCC(O)c1ccc(O)c(CN)c1
InChIInChI=1S/C19H26N2O4/c1-13(12-25-19-6-4-3-5-18(19)24-2)21-11-17(23)14-7-8-16(22)15(9-14)10-20/h3-9,13,17,21-23H,10-12,20H2,1-2H3
InChIKeyMFCOFFWBBUPUDM-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.95
Rot. Bonds9

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

2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol (PubChem CID 163864065) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol.

Molecular Properties

Compound Name2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol
PubChem CID163864065
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol
SMILESCOc1ccccc1OCC(C)NCC(O)c1ccc(O)c(CN)c1
InChIInChI=1S/C19H26N2O4/c1-13(12-25-19-6-4-3-5-18(19)24-2)21-11-17(23)14-7-8-16(22)15(9-14)10-20/h3-9,13,17,21-23H,10-12,20H2,1-2H3
InChIKeyMFCOFFWBBUPUDM-UHFFFAOYSA-N
XLogP1.95
TPSA96.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 23347166
2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 151436293
5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 23347187
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
(1R)-2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70006145
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide
CID 11489067
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
5-[(1S)-1-hydroxy-2-[[(2S)-1-(4-methoxynaphthalen-1-yl)propan-2-yl]amino]ethyl]benzene-1,3-diol
CID 146025810
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetate
CID 58959795
2-(aminomethyl)-4-butan-2-ylphenol;hydrochloride
CID 21430763
4-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]-2-(hydroxymethyl)phenol
CID 165341747
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 134211273

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol?
The IUPAC name of 2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol (CID 163864065) is 2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol.
What is the SMILES notation for 2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol?
The canonical SMILES for 2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol is COc1ccccc1OCC(C)NCC(O)c1ccc(O)c(CN)c1.
What is the InChIKey of 2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol?
The InChIKey is MFCOFFWBBUPUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13(12-25-19-6-4-3-5-18(19)24-2)21-11-17(23)14-7-8-16(22)15(9-14)10-20/h3-9,13,17,21-23H,10-12,20H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol?
2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol has a molecular weight of 346.43 g/mol, XLogP of 1.95, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol is sourced from PubChem (CID 163864065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).