1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol

C15H23FN2O — CID 110885348

IUPAC1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1ccc(CNCC(O)CN2CCCC2)cc1F
InChIInChI=1S/C15H23FN2O/c1-12-4-5-13(8-15(12)16)9-17-10-14(19)11-18-6-2-3-7-18/h4-5,8,14,17,19H,2-3,6-7,9-11H2,1H3
InChIKeySPOYASMBGZGXMS-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.68
Rot. Bonds6

About 1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol

1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 110885348) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID110885348
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1ccc(CNCC(O)CN2CCCC2)cc1F
InChIInChI=1S/C15H23FN2O/c1-12-4-5-13(8-15(12)16)9-17-10-14(19)11-18-6-2-3-7-18/h4-5,8,14,17,19H,2-3,6-7,9-11H2,1H3
InChIKeySPOYASMBGZGXMS-UHFFFAOYSA-N
XLogP1.68
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 63646067
1-[5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-2-methoxyphenoxy]-3-(4-methyl-1,4-diazepan-1-yl)propan-2-ol
CID 45245825
2-fluoro-4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzoic acid
CID 106700025
1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine
CID 135225472
1-pyrrolidin-1-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 110930765
1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729575
N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904534
1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904890
(2R)-1-(azepan-1-yl)-3-[3-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 25384279
1-N-[(3-fluoro-4-methylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 63646570
1-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 166187432
2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 110888245

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol (CID 110885348) is 1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol is Cc1ccc(CNCC(O)CN2CCCC2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is SPOYASMBGZGXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-12-4-5-13(8-15(12)16)9-17-10-14(19)11-18-6-2-3-7-18/h4-5,8,14,17,19H,2-3,6-7,9-11H2,1H3.
What are the key properties of 1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 266.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 110885348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).