1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol

C15H23ClN2O — CID 60729320

IUPAC1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(NCC(O)CN1CCCC1)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-12(14-6-2-3-7-15(14)16)17-10-13(19)11-18-8-4-5-9-18/h2-3,6-7,12-13,17,19H,4-5,8-11H2,1H3
InChIKeyCJICCEGNDYGITE-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.45
Rot. Bonds6

About 1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol

1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 60729320) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID60729320
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(NCC(O)CN1CCCC1)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-12(14-6-2-3-7-15(14)16)17-10-13(19)11-18-8-4-5-9-18/h2-3,6-7,12-13,17,19H,4-5,8-11H2,1H3
InChIKeyCJICCEGNDYGITE-UHFFFAOYSA-N
XLogP2.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749075
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
1-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-2-ol
CID 111755606
N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43100745
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81399781
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993549
1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729373
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81378766
1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81360774

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol (CID 60729320) is 1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol is CC(NCC(O)CN1CCCC1)c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is CJICCEGNDYGITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-12(14-6-2-3-7-15(14)16)17-10-13(19)11-18-8-4-5-9-18/h2-3,6-7,12-13,17,19H,4-5,8-11H2,1H3.
What are the key properties of 1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 282.81 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 60729320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).