N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine

C14H22ClFN2 — CID 113409083

IUPACN'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)CCc1c(F)cccc1Cl
InChIInChI=1S/C14H22ClFN2/c1-3-8-17-9-11-18(2)10-7-12-13(15)5-4-6-14(12)16/h4-6,17H,3,7-11H2,1-2H3
InChIKeyQONUEULZHFYYPJ-UHFFFAOYSA-N
MW272.79 g/mol
LogP2.95
Rot. Bonds8

About N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine

N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine (PubChem CID 113409083) has the molecular formula C14H22ClFN2 and a molecular weight of 272.79 g/mol. Its IUPAC name is N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine
PubChem CID113409083
Molecular FormulaC14H22ClFN2
Molecular Weight272.79 g/mol
Exact Mass272.15
IUPAC NameN'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)CCc1c(F)cccc1Cl
InChIInChI=1S/C14H22ClFN2/c1-3-8-17-9-11-18(2)10-7-12-13(15)5-4-6-14(12)16/h4-6,17H,3,7-11H2,1-2H3
InChIKeyQONUEULZHFYYPJ-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.79
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-chloro-6-fluorophenyl)ethyl]-1-methylhydrazine
CID 82282557
N-[(2-chloro-6-fluorophenyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103720745
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
N-[(2-chloro-6-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294849
2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol
CID 94682382
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985027
3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400193
3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 63355212
N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62591421
4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
CID 82113720
1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 61495709

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine (CID 113409083) is N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine is CCCNCCN(C)CCc1c(F)cccc1Cl.
What is the InChIKey of N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine?
The InChIKey is QONUEULZHFYYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClFN2/c1-3-8-17-9-11-18(2)10-7-12-13(15)5-4-6-14(12)16/h4-6,17H,3,7-11H2,1-2H3.
What are the key properties of N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine?
N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine has a molecular weight of 272.79 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 113409083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).