1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol

C15H24N2O — CID 60729010

IUPAC1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(NCC(O)CN1CCCC1)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-13(14-7-3-2-4-8-14)16-11-15(18)12-17-9-5-6-10-17/h2-4,7-8,13,15-16,18H,5-6,9-12H2,1H3
InChIKeyKWNBOCLGPHDICH-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.79
Rot. Bonds6

About 1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol

1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 60729010) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID60729010
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(NCC(O)CN1CCCC1)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-13(14-7-3-2-4-8-14)16-11-15(18)12-17-9-5-6-10-17/h2-4,7-8,13,15-16,18H,5-6,9-12H2,1H3
InChIKeyKWNBOCLGPHDICH-UHFFFAOYSA-N
XLogP1.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol
CID 110904840
1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729373
1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81360774
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729320
1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81399781
(2R)-1-carbazol-9-yl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2368013
1-carbazol-9-yl-3-(1-phenylethylamino)propan-2-ol
CID 3635355
1-chloro-3-(1-phenylethylamino)propan-2-ol
CID 14089777
1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 63867828
1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 54917373
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol (CID 60729010) is 1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol is CC(NCC(O)CN1CCCC1)c1ccccc1.
What is the InChIKey of 1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is KWNBOCLGPHDICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(14-7-3-2-4-8-14)16-11-15(18)12-17-9-5-6-10-17/h2-4,7-8,13,15-16,18H,5-6,9-12H2,1H3.
What are the key properties of 1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol?
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 60729010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).