4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline

C13H12ClF3N2 — CID 28877405

IUPAC4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCn1cccc1CNc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H12ClF3N2/c1-19-6-2-3-10(19)8-18-12-5-4-9(14)7-11(12)13(15,16)17/h2-7,18H,8H2,1H3
InChIKeyOWVQCLIGORINGI-UHFFFAOYSA-N
MW288.70 g/mol
LogP4.31
Rot. Bonds3

About 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline

4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 28877405) has the molecular formula C13H12ClF3N2 and a molecular weight of 288.70 g/mol. Its IUPAC name is 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID28877405
Molecular FormulaC13H12ClF3N2
Molecular Weight288.70 g/mol
Exact Mass288.06
IUPAC Name4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCn1cccc1CNc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H12ClF3N2/c1-19-6-2-3-10(19)8-18-12-5-4-9(14)7-11(12)13(15,16)17/h2-7,18H,8H2,1H3
InChIKeyOWVQCLIGORINGI-UHFFFAOYSA-N
XLogP4.31
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2-methylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 29045449
5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132956
5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62130636
2-[(1-methylpyrrol-2-yl)methylamino]-5-(trifluoromethyl)benzonitrile
CID 115693890
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 79579300
4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)aniline
CID 103000614
N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 66385827
4-chloro-N-prop-2-ynyl-2-(trifluoromethyl)aniline
CID 62140302
4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 63419212
4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28548305
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 28534147
N-[(6-bromo-2-pyridinyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 115937775

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline (CID 28877405) is 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline is Cn1cccc1CNc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is OWVQCLIGORINGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2/c1-19-6-2-3-10(19)8-18-12-5-4-9(14)7-11(12)13(15,16)17/h2-7,18H,8H2,1H3.
What are the key properties of 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline?
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 288.70 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 28877405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).