2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol

C16H26N2O2 — CID 115634217

IUPAC2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol
SMILESCC(CO)(NCC(O)CN1CCCC1)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-16(13-19,14-7-3-2-4-8-14)17-11-15(20)12-18-9-5-6-10-18/h2-4,7-8,15,17,19-20H,5-6,9-13H2,1H3
InChIKeyKQZKDKLUWXBGHN-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.94
Rot. Bonds7

About 2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol

2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol (PubChem CID 115634217) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol
PubChem CID115634217
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol
SMILESCC(CO)(NCC(O)CN1CCCC1)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-16(13-19,14-7-3-2-4-8-14)17-11-15(20)12-18-9-5-6-10-18/h2-4,7-8,15,17,19-20H,5-6,9-13H2,1H3
InChIKeyKQZKDKLUWXBGHN-UHFFFAOYSA-N
XLogP0.94
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-1-ol
CID 60909717
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol
CID 106990619
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2-(2-methylbutylamino)-2-phenylpropan-1-ol
CID 115687949
2-(3-methylbutylamino)-2-phenylpropan-1-ol
CID 115619641
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656
1-(2-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 23153227
2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 62374500
3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride
CID 3060750
2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol
CID 105057805
1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60908807

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol (CID 115634217) is 2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol is CC(CO)(NCC(O)CN1CCCC1)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol?
The InChIKey is KQZKDKLUWXBGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(13-19,14-7-3-2-4-8-14)17-11-15(20)12-18-9-5-6-10-18/h2-4,7-8,15,17,19-20H,5-6,9-13H2,1H3.
What are the key properties of 2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol?
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol is sourced from PubChem (CID 115634217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).