1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol

C17H28N2O2 — CID 106025545

IUPAC1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNCC1CCCN1C)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(15-7-4-3-5-8-15)21-13-17(20)12-18-11-16-9-6-10-19(16)2/h3-5,7-8,14,16-18,20H,6,9-13H2,1-2H3
InChIKeyCWALTDCSNPCKBV-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.81
Rot. Bonds8

About 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol

1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol (PubChem CID 106025545) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
PubChem CID106025545
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNCC1CCCN1C)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(15-7-4-3-5-8-15)21-13-17(20)12-18-11-16-9-6-10-19(16)2/h3-5,7-8,14,16-18,20H,6,9-13H2,1-2H3
InChIKeyCWALTDCSNPCKBV-UHFFFAOYSA-N
XLogP1.81
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropan-1-amine
CID 103626279
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 60910129
1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
CID 60635394
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-propan-2-ylacetamide
CID 60910597
N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylbutan-1-amine
CID 107094689
1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol
CID 106025279
1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol
CID 106025460
1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol
CID 3379940
1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
CID 54938755
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide
CID 60901591
1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrrolidin-2-yl)methylamino]propan-2-ol
CID 106025685

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol?
The IUPAC name of 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol (CID 106025545) is 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol is CC(OCC(O)CNCC1CCCN1C)c1ccccc1.
What is the InChIKey of 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is CWALTDCSNPCKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(15-7-4-3-5-8-15)21-13-17(20)12-18-11-16-9-6-10-19(16)2/h3-5,7-8,14,16-18,20H,6,9-13H2,1-2H3.
What are the key properties of 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol?
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol is sourced from PubChem (CID 106025545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).