1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine

C16H17ClF2N2 — CID 114842940

IUPAC1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1F)C(CN)c1cc(Cl)ccc1F
InChIInChI=1S/C16H17ClF2N2/c1-21(10-11-4-2-3-5-14(11)18)16(9-20)13-8-12(17)6-7-15(13)19/h2-8,16H,9-10,20H2,1H3
InChIKeyLRORXONRVDCRRS-UHFFFAOYSA-N
MW310.77 g/mol
LogP3.75
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine

1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine (PubChem CID 114842940) has the molecular formula C16H17ClF2N2 and a molecular weight of 310.77 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
PubChem CID114842940
Molecular FormulaC16H17ClF2N2
Molecular Weight310.77 g/mol
Exact Mass310.10
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1F)C(CN)c1cc(Cl)ccc1F
InChIInChI=1S/C16H17ClF2N2/c1-21(10-11-4-2-3-5-14(11)18)16(9-20)13-8-12(17)6-7-15(13)19/h2-8,16H,9-10,20H2,1H3
InChIKeyLRORXONRVDCRRS-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine
CID 63471932
1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
CID 114842877
1-(5-chloro-2-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 114842862
1-(3-bromo-4-methylphenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 105404788
N-butan-2-yl-1-(5-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842864
1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 114842813
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 114842894
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43211967
1-(2-bromo-5-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 66157436
1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 106885623
N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66119609
1-(5-chloro-2-fluorophenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114842934

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine (CID 114842940) is 1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine is CN(Cc1ccccc1F)C(CN)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is LRORXONRVDCRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N2/c1-21(10-11-4-2-3-5-14(11)18)16(9-20)13-8-12(17)6-7-15(13)19/h2-8,16H,9-10,20H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 310.77 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 114842940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).