2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol

C16H22F2N2O — CID 60976055

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol
SMILESOC(CNCC1CCN(C2CC2)C1)c1cc(F)ccc1F
InChIInChI=1S/C16H22F2N2O/c17-12-1-4-15(18)14(7-12)16(21)9-19-8-11-5-6-20(10-11)13-2-3-13/h1,4,7,11,13,16,19,21H,2-3,5-6,8-10H2
InChIKeyQBMCNNUYHXCPEO-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.07
Rot. Bonds6

About 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol

2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol (PubChem CID 60976055) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol
PubChem CID60976055
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol
SMILESOC(CNCC1CCN(C2CC2)C1)c1cc(F)ccc1F
InChIInChI=1S/C16H22F2N2O/c17-12-1-4-15(18)14(7-12)16(21)9-19-8-11-5-6-20(10-11)13-2-3-13/h1,4,7,11,13,16,19,21H,2-3,5-6,8-10H2
InChIKeyQBMCNNUYHXCPEO-UHFFFAOYSA-N
XLogP2.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cyclobutylpiperidin-4-yl)amino]-1-(2,5-difluorophenyl)ethanol
CID 138000625
3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106132403
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 102615523
1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 111442628
2-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-4-fluorobenzonitrile
CID 107903968
4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133375
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol
CID 54893307
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine
CID 54881039
2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
CID 61101489
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol
CID 62815556

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol (CID 60976055) is 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol is OC(CNCC1CCN(C2CC2)C1)c1cc(F)ccc1F.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol?
The InChIKey is QBMCNNUYHXCPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-12-1-4-15(18)14(7-12)16(21)9-19-8-11-5-6-20(10-11)13-2-3-13/h1,4,7,11,13,16,19,21H,2-3,5-6,8-10H2.
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol?
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol has a molecular weight of 296.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 60976055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).