N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine

C17H20ClFN2 — CID 43126039

IUPACN-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
SMILESCCN(Cc1ccccc1)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C17H20ClFN2/c1-2-21(12-13-7-4-3-5-8-13)16(11-20)17-14(18)9-6-10-15(17)19/h3-10,16H,2,11-12,20H2,1H3
InChIKeyWKUKNCSAPVZDSN-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.00
Rot. Bonds6

About N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine

N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine (PubChem CID 43126039) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
PubChem CID43126039
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC NameN-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
SMILESCCN(Cc1ccccc1)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C17H20ClFN2/c1-2-21(12-13-7-4-3-5-8-13)16(11-20)17-14(18)9-6-10-15(17)19/h3-10,16H,2,11-12,20H2,1H3
InChIKeyWKUKNCSAPVZDSN-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43126021
1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43080648
N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine
CID 43126038
1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61414930
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044
N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
CID 43126076
1-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563267
N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991984
1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 61423699
1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 16794999
1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
CID 63470631
1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002058

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine (CID 43126039) is N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine is CCN(Cc1ccccc1)C(CN)c1c(F)cccc1Cl.
What is the InChIKey of N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine?
The InChIKey is WKUKNCSAPVZDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-2-21(12-13-7-4-3-5-8-13)16(11-20)17-14(18)9-6-10-15(17)19/h3-10,16H,2,11-12,20H2,1H3.
What are the key properties of N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine?
N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine has a molecular weight of 306.81 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 43126039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).