2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine

C14H16FNO — CID 83854139

IUPAC2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine
SMILESCOc1ccc2cc(CF)cc(CCN)c2c1
InChIInChI=1S/C14H16FNO/c1-17-13-3-2-11-6-10(9-15)7-12(4-5-16)14(11)8-13/h2-3,6-8H,4-5,9,16H2,1H3
InChIKeyAWPCGPLODWVBHJ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.82
Rot. Bonds4

About 2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine

2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine (PubChem CID 83854139) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine
PubChem CID83854139
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine
SMILESCOc1ccc2cc(CF)cc(CCN)c2c1
InChIInChI=1S/C14H16FNO/c1-17-13-3-2-11-6-10(9-15)7-12(4-5-16)14(11)8-13/h2-3,6-8H,4-5,9,16H2,1H3
InChIKeyAWPCGPLODWVBHJ-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
2-(2,7-dimethoxynaphthalen-1-yl)ethanamine
CID 10399005
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea
CID 23360827
1-ethyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea
CID 23360900
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
CID 20984431
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine
CID 168957091
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
7-methoxy-1-(7-methoxy-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 20715432

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine?
The IUPAC name of 2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine (CID 83854139) is 2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine?
The canonical SMILES for 2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine is COc1ccc2cc(CF)cc(CCN)c2c1.
What is the InChIKey of 2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine?
The InChIKey is AWPCGPLODWVBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-17-13-3-2-11-6-10(9-15)7-12(4-5-16)14(11)8-13/h2-3,6-8H,4-5,9,16H2,1H3.
What are the key properties of 2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine?
2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine is sourced from PubChem (CID 83854139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).