(2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol

C16H18FNO2 — CID 82684354

IUPAC(2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccc(C(O)c2cc(F)ccc2N)cc1
InChIInChI=1S/C16H18FNO2/c1-10(2)20-13-6-3-11(4-7-13)16(19)14-9-12(17)5-8-15(14)18/h3-10,16,19H,18H2,1-2H3
InChIKeyRBBWETGTLZBZBT-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.28
Rot. Bonds4

About (2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol

(2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol (PubChem CID 82684354) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol
PubChem CID82684354
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccc(C(O)c2cc(F)ccc2N)cc1
InChIInChI=1S/C16H18FNO2/c1-10(2)20-13-6-3-11(4-7-13)16(19)14-9-12(17)5-8-15(14)18/h3-10,16,19H,18H2,1-2H3
InChIKeyRBBWETGTLZBZBT-UHFFFAOYSA-N
XLogP3.28
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.28
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

4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol
CID 105492360
(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129394511
(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 62918976
4-fluoro-2-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 55067775
(2-amino-4-propan-2-yloxyphenyl)methanediol
CID 142498218
(2-amino-5-fluorophenyl)-(3-ethylphenyl)methanol
CID 82684554
2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614
(S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol
CID 129394991
4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067640
(2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol
CID 106790887
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
CID 82685546

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol?
The IUPAC name of (2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol (CID 82684354) is (2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol is CC(C)Oc1ccc(C(O)c2cc(F)ccc2N)cc1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol?
The InChIKey is RBBWETGTLZBZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-10(2)20-13-6-3-11(4-7-13)16(19)14-9-12(17)5-8-15(14)18/h3-10,16,19H,18H2,1-2H3.
What are the key properties of (2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol?
(2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol has a molecular weight of 275.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 82684354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).