2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol

C16H26N2O — CID 62374500

IUPAC2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
SMILESCC(CN1CCCC1)NCC(C)(O)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-14(12-18-10-6-7-11-18)17-13-16(2,19)15-8-4-3-5-9-15/h3-5,8-9,14,17,19H,6-7,10-13H2,1-2H3
InChIKeyNOBQGKLOLSVXGO-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.97
Rot. Bonds6

About 2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol

2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol (PubChem CID 62374500) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
PubChem CID62374500
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
SMILESCC(CN1CCCC1)NCC(C)(O)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-14(12-18-10-6-7-11-18)17-13-16(2,19)15-8-4-3-5-9-15/h3-5,8-9,14,17,19H,6-7,10-13H2,1-2H3
InChIKeyNOBQGKLOLSVXGO-UHFFFAOYSA-N
XLogP1.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 115638973
N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine
CID 116788942
3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride
CID 3060750
1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol
CID 81393030
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61221225
1-(hexan-2-ylamino)-2-phenylpropan-2-ol
CID 62374352
2-methyl-2-phenyl-N-propan-2-yl-3-pyrrolidin-1-ylpropan-1-amine
CID 62262976
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
1-(octan-2-ylamino)-2-phenylpropan-2-ol
CID 62373527
1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea
CID 111507885
1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81379444

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol (CID 62374500) is 2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol is CC(CN1CCCC1)NCC(C)(O)c1ccccc1.
What is the InChIKey of 2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol?
The InChIKey is NOBQGKLOLSVXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(12-18-10-6-7-11-18)17-13-16(2,19)15-8-4-3-5-9-15/h3-5,8-9,14,17,19H,6-7,10-13H2,1-2H3.
What are the key properties of 2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol?
2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 62374500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).