1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol

C9H16N2O — CID 66406506

IUPAC1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol
SMILESCNCc1ccn(CC(C)O)c1
InChIInChI=1S/C9H16N2O/c1-8(12)6-11-4-3-9(7-11)5-10-2/h3-4,7-8,10,12H,5-6H2,1-2H3
InChIKeyGUAXHGCMOXCIPE-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.59
Rot. Bonds4

About 1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol

1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol (PubChem CID 66406506) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol
PubChem CID66406506
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol
SMILESCNCc1ccn(CC(C)O)c1
InChIInChI=1S/C9H16N2O/c1-8(12)6-11-4-3-9(7-11)5-10-2/h3-4,7-8,10,12H,5-6H2,1-2H3
InChIKeyGUAXHGCMOXCIPE-UHFFFAOYSA-N
XLogP0.59
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol
CID 66399124
N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine
CID 66404275
N-methyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide
CID 66404281
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404693
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
CID 66405103
N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66405700
1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine
CID 66405503
1-[1-(2-hydroxypropyl)pyrrol-3-yl]-2-methylpropan-1-one
CID 79097506
1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404694
2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66406832
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine
CID 66404285

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol?
The IUPAC name of 1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol (CID 66406506) is 1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol is CNCc1ccn(CC(C)O)c1.
What is the InChIKey of 1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol?
The InChIKey is GUAXHGCMOXCIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(12)6-11-4-3-9(7-11)5-10-2/h3-4,7-8,10,12H,5-6H2,1-2H3.
What are the key properties of 1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol?
1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol is sourced from PubChem (CID 66406506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).