1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine

C14H20ClFN2O — CID 114843364

IUPAC1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCC1OCCC1N(C)C(CN)c1ccc(Cl)cc1F
InChIInChI=1S/C14H20ClFN2O/c1-9-13(5-6-19-9)18(2)14(8-17)11-4-3-10(15)7-12(11)16/h3-4,7,9,13-14H,5-6,8,17H2,1-2H3
InChIKeyNIIGWHSNZNBGQN-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.59
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine

1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine (PubChem CID 114843364) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
PubChem CID114843364
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCC1OCCC1N(C)C(CN)c1ccc(Cl)cc1F
InChIInChI=1S/C14H20ClFN2O/c1-9-13(5-6-19-9)18(2)14(8-17)11-4-3-10(15)7-12(11)16/h3-4,7,9,13-14H,5-6,8,17H2,1-2H3
InChIKeyNIIGWHSNZNBGQN-UHFFFAOYSA-N
XLogP2.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 82734785
1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 114842824
N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine
CID 82732716
4-chloro-2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol
CID 82983699
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82733160
N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 82732511
1-(4-chloro-2-fluorophenyl)-N-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 114843084
1-(4-chloro-2-fluorophenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114842933
[4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol
CID 114845807
1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114937259
1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 66158019
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 114842869

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine (CID 114843364) is 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine is CC1OCCC1N(C)C(CN)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The InChIKey is NIIGWHSNZNBGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-9-13(5-6-19-9)18(2)14(8-17)11-4-3-10(15)7-12(11)16/h3-4,7,9,13-14H,5-6,8,17H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine has a molecular weight of 286.78 g/mol, XLogP of 2.59, 4 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-(2-methyloxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 114843364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).