4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine

C21H22F2N4 — CID 130431735

IUPAC4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine
SMILESNc1cc(CCc2ccccc2NCC(F)(F)c2ccccc2)cc(N)n1
InChIInChI=1S/C21H22F2N4/c22-21(23,17-7-2-1-3-8-17)14-26-18-9-5-4-6-16(18)11-10-15-12-19(24)27-20(25)13-15/h1-9,12-13,26H,10-11,14H2,(H4,24,25,27)
InChIKeyFDWRIJNCLZJTPT-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.24
Rot. Bonds7

About 4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine

4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine (PubChem CID 130431735) has the molecular formula C21H22F2N4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine
PubChem CID130431735
Molecular FormulaC21H22F2N4
Molecular Weight368.43 g/mol
Exact Mass368.18
IUPAC Name4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine
SMILESNc1cc(CCc2ccccc2NCC(F)(F)c2ccccc2)cc(N)n1
InChIInChI=1S/C21H22F2N4/c22-21(23,17-7-2-1-3-8-17)14-26-18-9-5-4-6-16(18)11-10-15-12-19(24)27-20(25)13-15/h1-9,12-13,26H,10-11,14H2,(H4,24,25,27)
InChIKeyFDWRIJNCLZJTPT-UHFFFAOYSA-N
XLogP4.24
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine with MolForge

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Related Compounds

4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N-{(3r,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 24764596
N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 24798098
N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 45259040
N-{(3s,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 45259041
NOS Inhibitor, 3h
CID 46892701
6-(2-{3-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]phenyl}ethyl)-4-Methylpyridin-2-Amine
CID 46892821
6,6'-{[5-(Aminomethyl)benzene-1,3-Diyl]diethane-2,1-Diyl}bis(4-Methylpyridin-2-Amine)
CID 71260796
6,6'-{[5-(3-Aminopropyl)benzene-1,3-Diyl]diethane-2,1-Diyl}bis(4-Methylpyridin-2-Amine)
CID 71304800
7-[[2-(3-Fluorophenyl)ethylamino]methyl]quinolin-2-Amine
CID 72771077
7-{2-[(3-Fluorobenzyl)amino]ethyl}quinolin-2-Amine
CID 72771078

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine?
The IUPAC name of 4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine (CID 130431735) is 4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine?
The canonical SMILES for 4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine is Nc1cc(CCc2ccccc2NCC(F)(F)c2ccccc2)cc(N)n1.
What is the InChIKey of 4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine?
The InChIKey is FDWRIJNCLZJTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4/c22-21(23,17-7-2-1-3-8-17)14-26-18-9-5-4-6-16(18)11-10-15-12-19(24)27-20(25)13-15/h1-9,12-13,26H,10-11,14H2,(H4,24,25,27).
What are the key properties of 4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine?
4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine has a molecular weight of 368.43 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(2,2-difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 130431735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).