2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine

C12H16FNO — CID 112693539

IUPAC2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
SMILESCOc1cc(C(N)CC2CC2)ccc1F
InChIInChI=1S/C12H16FNO/c1-15-12-7-9(4-5-10(12)13)11(14)6-8-2-3-8/h4-5,7-8,11H,2-3,6,14H2,1H3
InChIKeyXCFRASCLDZKDJR-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.63
Rot. Bonds4

About 2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine

2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine (PubChem CID 112693539) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
PubChem CID112693539
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
SMILESCOc1cc(C(N)CC2CC2)ccc1F
InChIInChI=1S/C12H16FNO/c1-15-12-7-9(4-5-10(12)13)11(14)6-8-2-3-8/h4-5,7-8,11H,2-3,6,14H2,1H3
InChIKeyXCFRASCLDZKDJR-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
CID 171205851
(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612
[2-cyclopentyl-1-(4-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105299048
1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine
CID 103169066
(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171219140
(1S)-2-cyclopropyl-1-(2,6-difluoro-3-methoxyphenyl)ethanamine;hydrochloride
CID 171235369
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
(1R)-1-(4-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171205855
(4S)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol
CID 171225472
3-amino-3-(4-fluoro-3-methoxyphenyl)propanenitrile
CID 55297807

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine (CID 112693539) is 2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine is COc1cc(C(N)CC2CC2)ccc1F.
What is the InChIKey of 2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine?
The InChIKey is XCFRASCLDZKDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-12-7-9(4-5-10(12)13)11(14)6-8-2-3-8/h4-5,7-8,11H,2-3,6,14H2,1H3.
What are the key properties of 2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine?
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine has a molecular weight of 209.26 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine is sourced from PubChem (CID 112693539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).