(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol

C14H20FNO — CID 70250173

IUPAC(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCc1ccc([C@@H](O)CCN2CCCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-11-4-5-12(10-13(11)15)14(17)6-9-16-7-2-3-8-16/h4-5,10,14,17H,2-3,6-9H2,1H3/t14-/m0/s1
InChIKeyJCQTVOGTCBKDAD-AWEZNQCLSA-N
MW237.32 g/mol
LogP2.65
Rot. Bonds4

About (1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol

(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 70250173) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID70250173
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCc1ccc([C@@H](O)CCN2CCCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-11-4-5-12(10-13(11)15)14(17)6-9-16-7-2-3-8-16/h4-5,10,14,17H,2-3,6-9H2,1H3/t14-/m0/s1
InChIKeyJCQTVOGTCBKDAD-AWEZNQCLSA-N
XLogP2.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-yl)-1-(4-chloro-3-methylphenyl)propan-1-ol
CID 82074595
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
(1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine
CID 144811393
1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073408
4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol
CID 107128525
1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol
CID 82074348
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
1-(2-fluorophenyl)-3-piperidin-1-ylpropan-1-ol
CID 62644212
(1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 70247468
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70227798
3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82073558
3-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128201

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of (1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol (CID 70250173) is (1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for (1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for (1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol is Cc1ccc([C@@H](O)CCN2CCCC2)cc1F.
What is the InChIKey of (1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is JCQTVOGTCBKDAD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11-4-5-12(10-13(11)15)14(17)6-9-16-7-2-3-8-16/h4-5,10,14,17H,2-3,6-9H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 237.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 70250173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).