N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine

C13H11ClF2N2 — CID 167960431

IUPACN-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine
SMILESFc1cncc(F)c1NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClF2N2/c14-10-3-1-9(2-4-10)5-6-18-13-11(15)7-17-8-12(13)16/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyNMZYGJIUVLSRIA-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.67
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine

N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine (PubChem CID 167960431) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine
PubChem CID167960431
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine
SMILESFc1cncc(F)c1NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClF2N2/c14-10-3-1-9(2-4-10)5-6-18-13-11(15)7-17-8-12(13)16/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyNMZYGJIUVLSRIA-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine
CID 167779053
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine
CID 79081252
N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 54798222
3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine
CID 166360112
3-(4-chloroanilino)-4-[2-(4-fluorophenyl)ethylamino]cyclobut-3-ene-1,2-dione
CID 170609356
5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109237881
4-N-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80794050
2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169588
2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 83077807
3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine
CID 167859641
3-chloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 83107247
1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 61380758

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine (CID 167960431) is N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine is Fc1cncc(F)c1NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine?
The InChIKey is NMZYGJIUVLSRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c14-10-3-1-9(2-4-10)5-6-18-13-11(15)7-17-8-12(13)16/h1-4,7-8H,5-6H2,(H,17,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine has a molecular weight of 268.69 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine is sourced from PubChem (CID 167960431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).