1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine

C15H22ClFN2 — CID 55002058

IUPAC1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(C1CC1)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C15H22ClFN2/c1-10(2)9-19(11-6-7-11)14(8-18)15-12(16)4-3-5-13(15)17/h3-5,10-11,14H,6-9,18H2,1-2H3
InChIKeyOLVQSZJXOOLTQC-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.60
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine

1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 55002058) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID55002058
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(C1CC1)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C15H22ClFN2/c1-10(2)9-19(11-6-7-11)14(8-18)15-12(16)4-3-5-13(15)17/h3-5,10-11,14H,6-9,18H2,1-2H3
InChIKeyOLVQSZJXOOLTQC-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002202
1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
CID 63470631
N-cyclopropyl-1-(3,5-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55001719
N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43180409
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044
N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 106528739
1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431561
3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
CID 65186484
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 79984037
1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61414930
1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43080648
2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
CID 83925233

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 55002058) is 1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(C1CC1)C(CN)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is OLVQSZJXOOLTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-10(2)9-19(11-6-7-11)14(8-18)15-12(16)4-3-5-13(15)17/h3-5,10-11,14H,6-9,18H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine?
1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 284.81 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 55002058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).