(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol

C12H16FNO — CID 103883025

IUPAC(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
SMILESCc1ccc(CN2CC[C@H](O)C2)cc1F
InChIInChI=1S/C12H16FNO/c1-9-2-3-10(6-12(9)13)7-14-5-4-11(15)8-14/h2-3,6,11,15H,4-5,7-8H2,1H3/t11-/m0/s1
InChIKeyNMXBEQDIRIMWJK-NSHDSACASA-N
MW209.26 g/mol
LogP1.70
Rot. Bonds2

About (3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol

(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 103883025) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
PubChem CID103883025
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
SMILESCc1ccc(CN2CC[C@H](O)C2)cc1F
InChIInChI=1S/C12H16FNO/c1-9-2-3-10(6-12(9)13)7-14-5-4-11(15)8-14/h2-3,6,11,15H,4-5,7-8H2,1H3/t11-/m0/s1
InChIKeyNMXBEQDIRIMWJK-NSHDSACASA-N
XLogP1.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzoic acid
CID 106699274
2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid
CID 79606523
1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63649779
1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine
CID 122520466
1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
CID 111423520
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
N-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide
CID 99778343
N-[2-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]-2-methoxyacetamide
CID 102554121
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol
CID 62943367
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol (CID 103883025) is (3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol is Cc1ccc(CN2CC[C@H](O)C2)cc1F.
What is the InChIKey of (3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is NMXBEQDIRIMWJK-NSHDSACASA-N. The full InChI is InChI=1S/C12H16FNO/c1-9-2-3-10(6-12(9)13)7-14-5-4-11(15)8-14/h2-3,6,11,15H,4-5,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol?
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 209.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 103883025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).