2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol

C16H20N2O2 — CID 105057714

IUPAC2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol
SMILESCOc1cc(N)cc(NC(C)(CO)c2ccccc2)c1
InChIInChI=1S/C16H20N2O2/c1-16(11-19,12-6-4-3-5-7-12)18-14-8-13(17)9-15(10-14)20-2/h3-10,18-19H,11,17H2,1-2H3
InChIKeyHFRNCGZIUONYIE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.60
Rot. Bonds5

About 2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol

2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol (PubChem CID 105057714) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol
PubChem CID105057714
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol
SMILESCOc1cc(N)cc(NC(C)(CO)c2ccccc2)c1
InChIInChI=1S/C16H20N2O2/c1-16(11-19,12-6-4-3-5-7-12)18-14-8-13(17)9-15(10-14)20-2/h3-10,18-19H,11,17H2,1-2H3
InChIKeyHFRNCGZIUONYIE-UHFFFAOYSA-N
XLogP2.60
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol
CID 61045679
2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol
CID 61049856
2-(4-amino-2-methylanilino)-2-phenylpropan-1-ol
CID 105057718
2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol
CID 105057762
2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol
CID 105057734
1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone
CID 105057753
2-(4-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61048116
3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057637
2-anilino-2-(4-propan-2-yloxyphenyl)propan-1-ol
CID 61046598
2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058658
2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61050529
5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 80722727

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol?
The IUPAC name of 2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol (CID 105057714) is 2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol is COc1cc(N)cc(NC(C)(CO)c2ccccc2)c1.
What is the InChIKey of 2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol?
The InChIKey is HFRNCGZIUONYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(11-19,12-6-4-3-5-7-12)18-14-8-13(17)9-15(10-14)20-2/h3-10,18-19H,11,17H2,1-2H3.
What are the key properties of 2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol?
2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol is sourced from PubChem (CID 105057714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).