2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline

C13H12ClFN2 — CID 60721568

IUPAC2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline
SMILESFc1ccc(NCCc2ccccn2)c(Cl)c1
InChIInChI=1S/C13H12ClFN2/c14-12-9-10(15)4-5-13(12)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8H2
InChIKeySWCLEEUIKDOUFL-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.53
Rot. Bonds4

About 2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline

2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 60721568) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline
PubChem CID60721568
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline
SMILESFc1ccc(NCCc2ccccn2)c(Cl)c1
InChIInChI=1S/C13H12ClFN2/c14-12-9-10(15)4-5-13(12)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8H2
InChIKeySWCLEEUIKDOUFL-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864899
2-chloro-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 9282895
4-chloro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 28902081
2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline
CID 61076812
1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393
3-chloro-N-(2-pyridin-2-ylethyl)aniline
CID 5001899
4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115468470
2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline
CID 54952691
3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 102755416
2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
CID 107644767
3,5-difluoro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 112675532
1-(2,4-difluorophenyl)-3-(2-pyridin-2-ylethyl)thiourea
CID 2730114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline (CID 60721568) is 2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline is Fc1ccc(NCCc2ccccn2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is SWCLEEUIKDOUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c14-12-9-10(15)4-5-13(12)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8H2.
What are the key properties of 2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline?
2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline has a molecular weight of 250.70 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 60721568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).