(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine

C13H18FNO — CID 135220431

IUPAC(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine
SMILESCN[C@@H](C)c1cc(F)cc(OCC2CC2)c1
InChIInChI=1S/C13H18FNO/c1-9(15-2)11-5-12(14)7-13(6-11)16-8-10-3-4-10/h5-7,9-10,15H,3-4,8H2,1-2H3/t9-/m0/s1
InChIKeyCUXTXNDMXIWVET-VIFPVBQESA-N
MW223.29 g/mol
LogP2.89
Rot. Bonds5

About (1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine

(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine (PubChem CID 135220431) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine
PubChem CID135220431
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine
SMILESCN[C@@H](C)c1cc(F)cc(OCC2CC2)c1
InChIInChI=1S/C13H18FNO/c1-9(15-2)11-5-12(14)7-13(6-11)16-8-10-3-4-10/h5-7,9-10,15H,3-4,8H2,1-2H3/t9-/m0/s1
InChIKeyCUXTXNDMXIWVET-VIFPVBQESA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
(1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 134558220
2-[5-[1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethylsulfamoyl]pentylamino]acetic acid
CID 135186535
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
4-cyclobutylidene-1-[5-[[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]amino]sulfanylpentyl]imidazolidin-2-one
CID 146353313
[3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid
CID 81332154
4-amino-2-[3-(cyclohexylmethoxy)-5-fluorophenyl]butan-1-ol
CID 164603654
1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene
CID 80752883
6-[3-[(2R)-2-[3-(cyclopropylmethoxy)-5-fluorophenyl]propyl]sulfonylpropyl]-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
CID 159747029
1-(cyclobutylidenemethyl)-3-(cyclopropylmethoxy)-5-fluorobenzene
CID 142360754

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine?
The IUPAC name of (1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine (CID 135220431) is (1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for (1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine?
The canonical SMILES for (1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine is CN[C@@H](C)c1cc(F)cc(OCC2CC2)c1.
What is the InChIKey of (1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine?
The InChIKey is CUXTXNDMXIWVET-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(15-2)11-5-12(14)7-13(6-11)16-8-10-3-4-10/h5-7,9-10,15H,3-4,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine?
(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 135220431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).