1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol

C16H22ClFN2O — CID 154780291

IUPAC1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol
SMILESCC1CC(NCC(O)c2cc(F)cc(Cl)c2)CN1C1CC1
InChIInChI=1S/C16H22ClFN2O/c1-10-4-14(9-20(10)15-2-3-15)19-8-16(21)11-5-12(17)7-13(18)6-11/h5-7,10,14-16,19,21H,2-4,8-9H2,1H3
InChIKeySCHNWAGXUIFFJI-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.73
Rot. Bonds5

About 1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol

1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol (PubChem CID 154780291) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol
PubChem CID154780291
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol
SMILESCC1CC(NCC(O)c2cc(F)cc(Cl)c2)CN1C1CC1
InChIInChI=1S/C16H22ClFN2O/c1-10-4-14(9-20(10)15-2-3-15)19-8-16(21)11-5-12(17)7-13(18)6-11/h5-7,10,14-16,19,21H,2-4,8-9H2,1H3
InChIKeySCHNWAGXUIFFJI-UHFFFAOYSA-N
XLogP2.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol (CID 154780291) is 1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol is CC1CC(NCC(O)c2cc(F)cc(Cl)c2)CN1C1CC1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol?
The InChIKey is SCHNWAGXUIFFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-10-4-14(9-20(10)15-2-3-15)19-8-16(21)11-5-12(17)7-13(18)6-11/h5-7,10,14-16,19,21H,2-4,8-9H2,1H3.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol?
1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol has a molecular weight of 312.82 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol is sourced from PubChem (CID 154780291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).