[2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol

C17H21NO2 — CID 129103581

IUPAC[2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol
SMILESCC(C)(C)Oc1ccc(C(O)c2ccccc2)c(N)c1
InChIInChI=1S/C17H21NO2/c1-17(2,3)20-13-9-10-14(15(18)11-13)16(19)12-7-5-4-6-8-12/h4-11,16,19H,18H2,1-3H3
InChIKeyNUYAJSUZMAXGLU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.53
Rot. Bonds3

About [2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol

[2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol (PubChem CID 129103581) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol.

Molecular Properties

Compound Name[2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol
PubChem CID129103581
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol
SMILESCC(C)(C)Oc1ccc(C(O)c2ccccc2)c(N)c1
InChIInChI=1S/C17H21NO2/c1-17(2,3)20-13-9-10-14(15(18)11-13)16(19)12-7-5-4-6-8-12/h4-11,16,19H,18H2,1-3H3
InChIKeyNUYAJSUZMAXGLU-UHFFFAOYSA-N
XLogP3.53
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[2-[(2-methylpropan-2-yl)oxy]phenyl]methanol;bis[3-[(2-methylpropan-2-yl)oxy]phenyl]methanol;bis(3-phenylphenyl)methanol;bis(4-phenylphenyl)methanol;[2-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol;[3-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol
CID 159768306
[3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol
CID 126621245
[2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]boronic acid
CID 68787578
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
CID 69295622
CID 69295622
2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene
CID 140958911
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
(5-tert-butyl-2-methoxyphenyl)-phenylmethanol
CID 171366960
(R)-(2-bromo-5-methoxyphenyl)-phenylmethanol
CID 124575991
3-[(2-methylpropan-2-yl)oxy]aniline
CID 19389149
(S)-(2-aminophenyl)-(4-methylphenyl)methanol
CID 40526253

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol?
The IUPAC name of [2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol (CID 129103581) is [2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol.
What is the SMILES notation for [2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol?
The canonical SMILES for [2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol is CC(C)(C)Oc1ccc(C(O)c2ccccc2)c(N)c1.
What is the InChIKey of [2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol?
The InChIKey is NUYAJSUZMAXGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2,3)20-13-9-10-14(15(18)11-13)16(19)12-7-5-4-6-8-12/h4-11,16,19H,18H2,1-3H3.
What are the key properties of [2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol?
[2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol has a molecular weight of 271.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol is sourced from PubChem (CID 129103581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).