(1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine

C17H27FN2O2 — CID 144811393

IUPAC(1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine
SMILESCN.O[C@@H](CCN1CCCC1)c1ccc(OC2CC2)c(F)c1
InChIInChI=1S/C16H22FNO2.CH5N/c17-14-11-12(3-6-16(14)20-13-4-5-13)15(19)7-10-18-8-1-2-9-18;1-2/h3,6,11,13,15,19H,1-2,4-5,7-10H2;2H2,1H3/t15-;/m0./s1
InChIKeyHOVBERFRTWJECT-RSAXXLAASA-N
MW310.41 g/mol
LogP2.46
Rot. Bonds6

About (1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine

(1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine (PubChem CID 144811393) has the molecular formula C17H27FN2O2 and a molecular weight of 310.41 g/mol. Its IUPAC name is (1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine.

Molecular Properties

Compound Name(1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine
PubChem CID144811393
Molecular FormulaC17H27FN2O2
Molecular Weight310.41 g/mol
Exact Mass310.21
IUPAC Name(1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine
SMILESCN.O[C@@H](CCN1CCCC1)c1ccc(OC2CC2)c(F)c1
InChIInChI=1S/C16H22FNO2.CH5N/c17-14-11-12(3-6-16(14)20-13-4-5-13)15(19)7-10-18-8-1-2-9-18;1-2/h3,6,11,13,15,19H,1-2,4-5,7-10H2;2H2,1H3/t15-;/m0./s1
InChIKeyHOVBERFRTWJECT-RSAXXLAASA-N
XLogP2.46
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70250173
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
CID 130562859
(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol
CID 82135922
1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073408
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
1-(4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967568
N-[1-(4-cyclopropyloxy-3-fluorophenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide
CID 123385678
1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol
CID 82074348
3-(azepan-1-yl)-1-(4-chloro-3-methylphenyl)propan-1-ol
CID 82074595

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine?
The IUPAC name of (1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine (CID 144811393) is (1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine.
What is the SMILES notation for (1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine?
The canonical SMILES for (1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine is CN.O[C@@H](CCN1CCCC1)c1ccc(OC2CC2)c(F)c1.
What is the InChIKey of (1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine?
The InChIKey is HOVBERFRTWJECT-RSAXXLAASA-N. The full InChI is InChI=1S/C16H22FNO2.CH5N/c17-14-11-12(3-6-16(14)20-13-4-5-13)15(19)7-10-18-8-1-2-9-18;1-2/h3,6,11,13,15,19H,1-2,4-5,7-10H2;2H2,1H3/t15-;/m0./s1.
What are the key properties of (1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine?
(1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine has a molecular weight of 310.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine is sourced from PubChem (CID 144811393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).