N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine

C14H19F3N2 — CID 169489159

IUPACN-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(C(F)(F)F)cc1N1CCCC1
InChIInChI=1S/C14H19F3N2/c1-2-18-10-11-5-6-12(14(15,16)17)9-13(11)19-7-3-4-8-19/h5-6,9,18H,2-4,7-8,10H2,1H3
InChIKeyXZJYWKXWTGGBNM-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.42
Rot. Bonds4

About N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine

N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 169489159) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID169489159
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(C(F)(F)F)cc1N1CCCC1
InChIInChI=1S/C14H19F3N2/c1-2-18-10-11-5-6-12(14(15,16)17)9-13(11)19-7-3-4-8-19/h5-6,9,18H,2-4,7-8,10H2,1H3
InChIKeyXZJYWKXWTGGBNM-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489195
2-(ethylaminomethyl)-5-(trifluoromethyl)phenol
CID 82549994
2-pyrrolidin-1-yl-4-(trifluoromethyl)benzenethiol
CID 144965090
methanesulfonic acid;4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylic acid
CID 166756567
2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489196
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;hydrochloride
CID 134522559
1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine
CID 130196319
N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 43280395
N-[(4-bromo-2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 43280272
N-[[4-chloro-2-(1,4-oxazepan-4-yl)phenyl]methyl]ethanamine
CID 114850847
1-[2-prop-1-ynyl-5-(trifluoromethyl)phenyl]pyrrolidine
CID 24938344

Frequently Asked Questions

What is the IUPAC name of N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 169489159) is N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine is CCNCc1ccc(C(F)(F)F)cc1N1CCCC1.
What is the InChIKey of N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is XZJYWKXWTGGBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-2-18-10-11-5-6-12(14(15,16)17)9-13(11)19-7-3-4-8-19/h5-6,9,18H,2-4,7-8,10H2,1H3.
What are the key properties of N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 272.31 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-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 169489159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).