4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine

C21H22F2N4 — CID 130431737

IUPAC4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine
SMILESNc1cc(C(CNCC(F)(F)c2ccccc2)c2ccccc2)cc(N)n1
InChIInChI=1S/C21H22F2N4/c22-21(23,17-9-5-2-6-10-17)14-26-13-18(15-7-3-1-4-8-15)16-11-19(24)27-20(25)12-16/h1-12,18,26H,13-14H2,(H4,24,25,27)
InChIKeyVPAFPZFLRHXCMN-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.76
Rot. Bonds7

About 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine

4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine (PubChem CID 130431737) has the molecular formula C21H22F2N4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine
PubChem CID130431737
Molecular FormulaC21H22F2N4
Molecular Weight368.43 g/mol
Exact Mass368.18
IUPAC Name4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine
SMILESNc1cc(C(CNCC(F)(F)c2ccccc2)c2ccccc2)cc(N)n1
InChIInChI=1S/C21H22F2N4/c22-21(23,17-9-5-2-6-10-17)14-26-13-18(15-7-3-1-4-8-15)16-11-19(24)27-20(25)12-16/h1-12,18,26H,13-14H2,(H4,24,25,27)
InChIKeyVPAFPZFLRHXCMN-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
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
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
6-[(2s)-2-Amino-2-{3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]phenyl}ethyl]-4-Methylpyridin-2-Amine
CID 73659112
(R)-6-(2-Amino-2-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)phenyl)ethyl)-4-Methylpyridin-2-Amine
CID 73659113
N1-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)phenyl)-N1,N2-Dimethylethane-1,2-Diamine
CID 91808024
N1-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)-5-(Trifluoromethyl)phenyl)-N1,N2-Dimethylethane-1,2-Diamine
CID 91819607
N1-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)-5-Fluorophenyl)-N1,N2-Dimethylethane-1,2-Diamine
CID 91819608

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine?
The IUPAC name of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine (CID 130431737) is 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine?
The canonical SMILES for 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine is Nc1cc(C(CNCC(F)(F)c2ccccc2)c2ccccc2)cc(N)n1.
What is the InChIKey of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine?
The InChIKey is VPAFPZFLRHXCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4/c22-21(23,17-9-5-2-6-10-17)14-26-13-18(15-7-3-1-4-8-15)16-11-19(24)27-20(25)12-16/h1-12,18,26H,13-14H2,(H4,24,25,27).
What are the key properties of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine?
4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine has a molecular weight of 368.43 g/mol, XLogP of 3.76, 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-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine is sourced from PubChem (CID 130431737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).