1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol

C15H20N2O — CID 111696288

IUPAC1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol
SMILESCn1ccc(CNCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C15H20N2O/c1-15(18,14-6-4-3-5-7-14)12-16-10-13-8-9-17(2)11-13/h3-9,11,16,18H,10,12H2,1-2H3
InChIKeyDJHDQVLAFUHNRW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.02
Rot. Bonds5

About 1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol

1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol (PubChem CID 111696288) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol
PubChem CID111696288
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol
SMILESCn1ccc(CNCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C15H20N2O/c1-15(18,14-6-4-3-5-7-14)12-16-10-13-8-9-17(2)11-13/h3-9,11,16,18H,10,12H2,1-2H3
InChIKeyDJHDQVLAFUHNRW-UHFFFAOYSA-N
XLogP2.02
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
CID 102610013
N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399550
1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol
CID 111121689
1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol
CID 111334317
2-phenyl-1-(pyridin-2-ylmethylamino)propan-2-ol
CID 62373506
2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 106509800
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine
CID 115867947
1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2-phenylpropan-2-ol
CID 111121700
5,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
CID 115867925
2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 130478299
1-(2-aminoethylamino)-2-phenylpropan-2-ol
CID 62374351
2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol
CID 79101039

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol (CID 111696288) is 1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol is Cn1ccc(CNCC(C)(O)c2ccccc2)c1.
What is the InChIKey of 1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol?
The InChIKey is DJHDQVLAFUHNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(18,14-6-4-3-5-7-14)12-16-10-13-8-9-17(2)11-13/h3-9,11,16,18H,10,12H2,1-2H3.
What are the key properties of 1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol?
1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol has a molecular weight of 244.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol is sourced from PubChem (CID 111696288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).