(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine

C18H16FNO — CID 82793131

IUPAC(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine
SMILESCOc1cccc(C(N)c2ccc3ccccc3c2)c1F
InChIInChI=1S/C18H16FNO/c1-21-16-8-4-7-15(17(16)19)18(20)14-10-9-12-5-2-3-6-13(12)11-14/h2-11,18H,20H2,1H3
InChIKeyJHYTWKFPFZROPH-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.04
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine

(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine (PubChem CID 82793131) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine
PubChem CID82793131
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine
SMILESCOc1cccc(C(N)c2ccc3ccccc3c2)c1F
InChIInChI=1S/C18H16FNO/c1-21-16-8-4-7-15(17(16)19)18(20)14-10-9-12-5-2-3-6-13(12)11-14/h2-11,18H,20H2,1H3
InChIKeyJHYTWKFPFZROPH-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024853
(2-fluoro-3-methylphenyl)-naphthalen-2-ylmethanamine
CID 115850991
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107994800
(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808205
[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine
CID 105025170
(R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248230
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024896
(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine
CID 82807035
(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 62650016
(4-fluorophenyl)-naphthalen-2-ylmethanamine
CID 43184816

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine (CID 82793131) is (2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine is COc1cccc(C(N)c2ccc3ccccc3c2)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine?
The InChIKey is JHYTWKFPFZROPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-21-16-8-4-7-15(17(16)19)18(20)14-10-9-12-5-2-3-6-13(12)11-14/h2-11,18H,20H2,1H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine?
(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine has a molecular weight of 281.33 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine is sourced from PubChem (CID 82793131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).