1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine

C12H16FNO — CID 107715743

IUPAC1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(OCC2CC2)cc1F
InChIInChI=1S/C12H16FNO/c1-8(14)11-5-4-10(6-12(11)13)15-7-9-2-3-9/h4-6,8-9H,2-3,7,14H2,1H3
InChIKeySXJFPKJZDODCSJ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.63
Rot. Bonds4

About 1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine

1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine (PubChem CID 107715743) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
PubChem CID107715743
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(OCC2CC2)cc1F
InChIInChI=1S/C12H16FNO/c1-8(14)11-5-4-10(6-12(11)13)15-7-9-2-3-9/h4-6,8-9H,2-3,7,14H2,1H3
InChIKeySXJFPKJZDODCSJ-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)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen
CID 142361370
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 107716273
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
1-[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716380
(1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107718132
1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107716051
1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107716339
(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
CID 107718803
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716334
[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol
CID 139623977
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine (CID 107715743) is 1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine is CC(N)c1ccc(OCC2CC2)cc1F.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine?
The InChIKey is SXJFPKJZDODCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8(14)11-5-4-10(6-12(11)13)15-7-9-2-3-9/h4-6,8-9H,2-3,7,14H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine?
1-[4-(cyclopropylmethoxy)-2-fluorophenyl]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 1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine is sourced from PubChem (CID 107715743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).