N-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine

C14H15F3N2 — CID 101211425

IUPACN-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine
SMILESCn1ccc(C(NCc2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2/c1-19-8-7-12(10-19)13(14(15,16)17)18-9-11-5-3-2-4-6-11/h2-8,10,13,18H,9H2,1H3
InChIKeyZNNDSCJBPRGFCM-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.42
Rot. Bonds4

About N-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine

N-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine (PubChem CID 101211425) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine
PubChem CID101211425
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC NameN-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine
SMILESCn1ccc(C(NCc2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2/c1-19-8-7-12(10-19)13(14(15,16)17)18-9-11-5-3-2-4-6-11/h2-8,10,13,18H,9H2,1H3
InChIKeyZNNDSCJBPRGFCM-UHFFFAOYSA-N
XLogP3.42
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184376
(1R)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184377
(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
CID 134943527
[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol
CID 107230552
N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
CID 62046972
N-[(1-methylpyrrol-3-yl)methyl]-1-phenylpropan-2-amine
CID 66398787
2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 86784389
1-(2-methylprop-2-enyl)-3-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]urea
CID 86817351
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43433338
N-[(1S)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]-1-benzofuran-2-sulfonamide
CID 99604639
N-benzyl-3,3-difluorobutan-2-amine
CID 130723597
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine
CID 66398321

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine?
The IUPAC name of N-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine (CID 101211425) is N-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine is Cn1ccc(C(NCc2ccccc2)C(F)(F)F)c1.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine?
The InChIKey is ZNNDSCJBPRGFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-19-8-7-12(10-19)13(14(15,16)17)18-9-11-5-3-2-4-6-11/h2-8,10,13,18H,9H2,1H3.
What are the key properties of N-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine?
N-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine has a molecular weight of 268.28 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine is sourced from PubChem (CID 101211425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).