2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine

C17H17Cl2FN2 — CID 71866080

IUPAC2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine
SMILESFc1ccc(CN(CCc2ccccn2)CC(Cl)=CCl)cc1
InChIInChI=1S/C17H17Cl2FN2/c18-11-15(19)13-22(10-8-17-3-1-2-9-21-17)12-14-4-6-16(20)7-5-14/h1-7,9,11H,8,10,12-13H2
InChIKeyYKSYGNNDYKALCW-UHFFFAOYSA-N
MW339.24 g/mol
LogP4.58
Rot. Bonds7

About 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine

2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine (PubChem CID 71866080) has the molecular formula C17H17Cl2FN2 and a molecular weight of 339.24 g/mol. Its IUPAC name is 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine
PubChem CID71866080
Molecular FormulaC17H17Cl2FN2
Molecular Weight339.24 g/mol
Exact Mass338.08
IUPAC Name2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine
SMILESFc1ccc(CN(CCc2ccccn2)CC(Cl)=CCl)cc1
InChIInChI=1S/C17H17Cl2FN2/c18-11-15(19)13-22(10-8-17-3-1-2-9-21-17)12-14-4-6-16(20)7-5-14/h1-7,9,11H,8,10,12-13H2
InChIKeyYKSYGNNDYKALCW-UHFFFAOYSA-N
XLogP4.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 167868362
N-benzyl-N-(2-chloroethyl)-2-pyridin-2-ylethanamine;hydrochloride
CID 3053599
N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine
CID 101335299
N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine
CID 106511612
N-[(4-fluorophenyl)methyl]-2-(methylamino)-N-(2-pyridin-2-ylethyl)acetamide
CID 119875097
N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 52886697
6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile
CID 133384302
2-[[bis(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 15244964
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 112799744
N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 107367067
[phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid
CID 15290103
3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119875092

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine (CID 71866080) is 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine is Fc1ccc(CN(CCc2ccccn2)CC(Cl)=CCl)cc1.
What is the InChIKey of 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine?
The InChIKey is YKSYGNNDYKALCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2/c18-11-15(19)13-22(10-8-17-3-1-2-9-21-17)12-14-4-6-16(20)7-5-14/h1-7,9,11H,8,10,12-13H2.
What are the key properties of 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine?
2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine has a molecular weight of 339.24 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 71866080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).