2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine

C15H14ClF3N2O — CID 133373348

IUPAC2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine
SMILESCC(Nc1ccnc(Cl)c1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H14ClF3N2O/c1-10(21-12-6-7-20-14(16)8-12)11-2-4-13(5-3-11)22-9-15(17,18)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyUGXPFYDZZINGKQ-UHFFFAOYSA-N
MW330.74 g/mol
LogP4.85
Rot. Bonds5

About 2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine

2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine (PubChem CID 133373348) has the molecular formula C15H14ClF3N2O and a molecular weight of 330.74 g/mol. Its IUPAC name is 2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine
PubChem CID133373348
Molecular FormulaC15H14ClF3N2O
Molecular Weight330.74 g/mol
Exact Mass330.07
IUPAC Name2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine
SMILESCC(Nc1ccnc(Cl)c1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H14ClF3N2O/c1-10(21-12-6-7-20-14(16)8-12)11-2-4-13(5-3-11)22-9-15(17,18)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyUGXPFYDZZINGKQ-UHFFFAOYSA-N
XLogP4.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine
CID 133360412
3-chloro-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]-1,2-thiazole-4-carbonitrile
CID 47984132
2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine
CID 133374084
6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine
CID 133274740
N-(3-methylbutan-2-yl)-4-(2,2,2-trifluoroethoxy)aniline
CID 43686735
2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine
CID 133374158
N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 43425654
N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-7H-purin-6-amine
CID 47984131
3,4-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43101196
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
CID 43721449
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 115486493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine (CID 133373348) is 2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine is CC(Nc1ccnc(Cl)c1)c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine?
The InChIKey is UGXPFYDZZINGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O/c1-10(21-12-6-7-20-14(16)8-12)11-2-4-13(5-3-11)22-9-15(17,18)19/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine?
2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine has a molecular weight of 330.74 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine is sourced from PubChem (CID 133373348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).