1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

C15H17ClFN3 — CID 114842894

IUPAC1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccccn1)C(CN)c1ccc(Cl)cc1F
InChIInChI=1S/C15H17ClFN3/c1-20(10-12-4-2-3-7-19-12)15(9-18)13-6-5-11(16)8-14(13)17/h2-8,15H,9-10,18H2,1H3
InChIKeyGUSIIFKHWGXNIU-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.01
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 114842894) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID114842894
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccccn1)C(CN)c1ccc(Cl)cc1F
InChIInChI=1S/C15H17ClFN3/c1-20(10-12-4-2-3-7-19-12)15(9-18)13-6-5-11(16)8-14(13)17/h2-8,15H,9-10,18H2,1H3
InChIKeyGUSIIFKHWGXNIU-UHFFFAOYSA-N
XLogP3.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564825
1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564737
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 43364611
1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 114842824
N-[(4-bromophenyl)methyl]-1-(4-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842949
N-[(3-bromophenyl)methyl]-1-(4-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842951
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 114842869
1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 114842967
1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 114842940
1-(4-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61413518
3,3,3-trifluoro-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43752727
(1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 129359313

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 114842894) is 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is CN(Cc1ccccn1)C(CN)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is GUSIIFKHWGXNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-20(10-12-4-2-3-7-19-12)15(9-18)13-6-5-11(16)8-14(13)17/h2-8,15H,9-10,18H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 293.77 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 114842894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).