2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol

C17H22N2O3 — CID 18371877

IUPAC2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol
SMILESCOc1cccc(-c2cc(N)ccc2N(CCO)CCO)c1
InChIInChI=1S/C17H22N2O3/c1-22-15-4-2-3-13(11-15)16-12-14(18)5-6-17(16)19(7-9-20)8-10-21/h2-6,11-12,20-21H,7-10,18H2,1H3
InChIKeyOYFDSWCZZMVDPX-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.74
Rot. Bonds7

About 2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol

2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol (PubChem CID 18371877) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol
PubChem CID18371877
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol
SMILESCOc1cccc(-c2cc(N)ccc2N(CCO)CCO)c1
InChIInChI=1S/C17H22N2O3/c1-22-15-4-2-3-13(11-15)16-12-14(18)5-6-17(16)19(7-9-20)8-10-21/h2-6,11-12,20-21H,7-10,18H2,1H3
InChIKeyOYFDSWCZZMVDPX-UHFFFAOYSA-N
XLogP1.74
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol (CID 18371877) is 2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol is COc1cccc(-c2cc(N)ccc2N(CCO)CCO)c1.
What is the InChIKey of 2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol?
The InChIKey is OYFDSWCZZMVDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-22-15-4-2-3-13(11-15)16-12-14(18)5-6-17(16)19(7-9-20)8-10-21/h2-6,11-12,20-21H,7-10,18H2,1H3.
What are the key properties of 2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol?
2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol has a molecular weight of 302.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol is sourced from PubChem (CID 18371877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).