2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol

C17H22N2O2 — CID 62114410

IUPAC2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol
SMILESCOc1ccc(CN(CCO)Cc2ccccc2)cc1N
InChIInChI=1S/C17H22N2O2/c1-21-17-8-7-15(11-16(17)18)13-19(9-10-20)12-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12-13,18H2,1H3
InChIKeyUSCDSLZILPNZKF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.27
Rot. Bonds7

About 2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol

2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol (PubChem CID 62114410) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol
PubChem CID62114410
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol
SMILESCOc1ccc(CN(CCO)Cc2ccccc2)cc1N
InChIInChI=1S/C17H22N2O2/c1-21-17-8-7-15(11-16(17)18)13-19(9-10-20)12-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12-13,18H2,1H3
InChIKeyUSCDSLZILPNZKF-UHFFFAOYSA-N
XLogP2.27
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 54995973
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
2-[(4-fluorophenyl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932160
2-[(3,4-diaminophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 94810816
N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20766140
1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79384589
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
5-[[bis(2-hydroxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065876
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 2845777
3-[N-[(3-amino-4-methoxyphenyl)methyl]anilino]propanenitrile
CID 29042087
3-[[(2,5-dimethoxyphenyl)methyl-(2-hydroxyethyl)amino]methyl]benzoic acid
CID 122029074

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol?
The IUPAC name of 2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol (CID 62114410) is 2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol.
What is the SMILES notation for 2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol?
The canonical SMILES for 2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol is COc1ccc(CN(CCO)Cc2ccccc2)cc1N.
What is the InChIKey of 2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol?
The InChIKey is USCDSLZILPNZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-17-8-7-15(11-16(17)18)13-19(9-10-20)12-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12-13,18H2,1H3.
What are the key properties of 2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol?
2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol has a molecular weight of 286.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol is sourced from PubChem (CID 62114410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).