N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline

C13H13F3N2 — CID 66397431

IUPACN-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline
SMILESCn1ccc(CNc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H13F3N2/c1-18-7-6-10(9-18)8-17-12-4-2-11(3-5-12)13(14,15)16/h2-7,9,17H,8H2,1H3
InChIKeyVSPHFKFUFKCLCO-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.66
Rot. Bonds3

About N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline

N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline (PubChem CID 66397431) has the molecular formula C13H13F3N2 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline
PubChem CID66397431
Molecular FormulaC13H13F3N2
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline
SMILESCn1ccc(CNc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H13F3N2/c1-18-7-6-10(9-18)8-17-12-4-2-11(3-5-12)13(14,15)16/h2-7,9,17H,8H2,1H3
InChIKeyVSPHFKFUFKCLCO-UHFFFAOYSA-N
XLogP3.66
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399550
1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 155032671
4-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66397859
3-bromo-4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 115909478
N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethoxy)aniline
CID 66398939
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103825746
2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide
CID 66398106
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-3-amine
CID 66400028
N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 65022462
N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66400218
3,5-dichloro-4-(difluoromethoxy)-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66397700
N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939828

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline (CID 66397431) is N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline is Cn1ccc(CNc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline?
The InChIKey is VSPHFKFUFKCLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-18-7-6-10(9-18)8-17-12-4-2-11(3-5-12)13(14,15)16/h2-7,9,17H,8H2,1H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline?
N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline has a molecular weight of 254.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 66397431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).