[3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine

C18H16FNO — CID 81441338

IUPAC[3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine
SMILESCOc1ccc2cc(-c3ccc(CN)cc3F)ccc2c1
InChIInChI=1S/C18H16FNO/c1-21-16-6-5-13-9-15(4-3-14(13)10-16)17-7-2-12(11-20)8-18(17)19/h2-10H,11,20H2,1H3
InChIKeySHWQPXNYHWGKSF-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.11
Rot. Bonds3

About [3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine

[3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine (PubChem CID 81441338) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is [3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine
PubChem CID81441338
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name[3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine
SMILESCOc1ccc2cc(-c3ccc(CN)cc3F)ccc2c1
InChIInChI=1S/C18H16FNO/c1-21-16-6-5-13-9-15(4-3-14(13)10-16)17-7-2-12(11-20)8-18(17)19/h2-10H,11,20H2,1H3
InChIKeySHWQPXNYHWGKSF-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 81446939
4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
CID 146522341
2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856467
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
CID 104781273
6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene
CID 139846935
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
(4-fluoro-3-naphthalen-2-ylphenyl)methanamine
CID 54912183
6-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139846760
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline
CID 82295213

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine (CID 81441338) is [3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine is COc1ccc2cc(-c3ccc(CN)cc3F)ccc2c1.
What is the InChIKey of [3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine?
The InChIKey is SHWQPXNYHWGKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-21-16-6-5-13-9-15(4-3-14(13)10-16)17-7-2-12(11-20)8-18(17)19/h2-10H,11,20H2,1H3.
What are the key properties of [3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine?
[3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine has a molecular weight of 281.33 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine is sourced from PubChem (CID 81441338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).