(3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol

C18H16FNO2 — CID 118356144

IUPAC(3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol
SMILESCOc1ccc2ccccc2c1C(O)c1ccc(F)c(N)c1
InChIInChI=1S/C18H16FNO2/c1-22-16-9-7-11-4-2-3-5-13(11)17(16)18(21)12-6-8-14(19)15(20)10-12/h2-10,18,21H,20H2,1H3
InChIKeyIIDLLRYVDARCRZ-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.65
Rot. Bonds3

About (3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol

(3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol (PubChem CID 118356144) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is (3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol
PubChem CID118356144
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name(3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol
SMILESCOc1ccc2ccccc2c1C(O)c1ccc(F)c(N)c1
InChIInChI=1S/C18H16FNO2/c1-22-16-9-7-11-4-2-3-5-13(11)17(16)18(21)12-6-8-14(19)15(20)10-12/h2-10,18,21H,20H2,1H3
InChIKeyIIDLLRYVDARCRZ-UHFFFAOYSA-N
XLogP3.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.65
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

(3-fluoro-4-methoxyphenyl)-naphthalen-1-ylmethanol
CID 61080907
(R)-(4-amino-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanol
CID 100804222
(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanol
CID 708237
(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 91678444
1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
CID 63895549
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
(S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol
CID 100804164
(3-amino-4-fluorophenyl)-methoxymethanol
CID 123185481
(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747390
1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol
CID 65146073
(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 116809700
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol?
The IUPAC name of (3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol (CID 118356144) is (3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol.
What is the SMILES notation for (3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol?
The canonical SMILES for (3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol is COc1ccc2ccccc2c1C(O)c1ccc(F)c(N)c1.
What is the InChIKey of (3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol?
The InChIKey is IIDLLRYVDARCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-22-16-9-7-11-4-2-3-5-13(11)17(16)18(21)12-6-8-14(19)15(20)10-12/h2-10,18,21H,20H2,1H3.
What are the key properties of (3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol?
(3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol has a molecular weight of 297.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-fluorophenyl)-(2-methoxynaphthalen-1-yl)methanol is sourced from PubChem (CID 118356144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).