1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol

C9H13F3N2O — CID 2738629

IUPAC1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol
SMILESCn1cccc1CNCC(O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-14-4-2-3-7(14)5-13-6-8(15)9(10,11)12/h2-4,8,13,15H,5-6H2,1H3
InChIKeyQNQGSZYRUQFAMW-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.04
Rot. Bonds4

About 1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol

1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol (PubChem CID 2738629) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol
PubChem CID2738629
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol
SMILESCn1cccc1CNCC(O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-14-4-2-3-7(14)5-13-6-8(15)9(10,11)12/h2-4,8,13,15H,5-6H2,1H3
InChIKeyQNQGSZYRUQFAMW-UHFFFAOYSA-N
XLogP1.04
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanol, 2-((2-pyridinylmethyl)amino)-
CID 81135
methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1096385
4-[(1H-pyrrol-2-yl)methyl]morpholine
CID 66636594
2-Propanol, 1-[(2-pyridinylmethyl)amino]-
CID 111406
[3-(Dimethylamino)propyl][(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1814905
2-{[(Pyridin-2-yl)methyl]amino}butan-1-ol
CID 4712765
((1-methyl-1H-pyrrol-2-yl)methyl)(propan-2-yl)amine
CID 10534864
N-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride
CID 11948789
2-(2-Methylpyrrol-1-yl)ethanol
CID 3394837
1H-Pyrrole-2-methanamine, 1-methyl-alpha-(trifluoromethyl)-
CID 16641577
2-{[(Pyridin-2-yl)methyl]amino}propan-1-ol
CID 43499555
N-[(1-methylpyrrol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 3162222

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol (CID 2738629) is 1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol is Cn1cccc1CNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol?
The InChIKey is QNQGSZYRUQFAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-14-4-2-3-7(14)5-13-6-8(15)9(10,11)12/h2-4,8,13,15H,5-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol has a molecular weight of 222.21 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 2738629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).