1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine

C13H18ClF2NO — CID 114275195

IUPAC1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
SMILESCCNC(c1c(Cl)ccc(F)c1F)C(C)(C)OC
InChIInChI=1S/C13H18ClF2NO/c1-5-17-12(13(2,3)18-4)10-8(14)6-7-9(15)11(10)16/h6-7,12,17H,5H2,1-4H3
InChIKeyKAZLSLDJHCNNFE-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.69
Rot. Bonds5

About 1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine

1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine (PubChem CID 114275195) has the molecular formula C13H18ClF2NO and a molecular weight of 277.74 g/mol. Its IUPAC name is 1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
PubChem CID114275195
Molecular FormulaC13H18ClF2NO
Molecular Weight277.74 g/mol
Exact Mass277.10
IUPAC Name1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
SMILESCCNC(c1c(Cl)ccc(F)c1F)C(C)(C)OC
InChIInChI=1S/C13H18ClF2NO/c1-5-17-12(13(2,3)18-4)10-8(14)6-7-9(15)11(10)16/h6-7,12,17H,5H2,1-4H3
InChIKeyKAZLSLDJHCNNFE-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 79197452
1-(6-chloro-2,3-difluorophenyl)-2-methoxy-N-propylpropan-1-amine
CID 114275197
N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855132
[2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105245230
[1-(2,6-difluoro-3-methylphenyl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245299
1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
1-(3-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 102857759
1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79058545
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759031
1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79196771
1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 103048890
N-ethyl-2-methoxy-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 79198385

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of 1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine (CID 114275195) is 1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine is CCNC(c1c(Cl)ccc(F)c1F)C(C)(C)OC.
What is the InChIKey of 1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The InChIKey is KAZLSLDJHCNNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF2NO/c1-5-17-12(13(2,3)18-4)10-8(14)6-7-9(15)11(10)16/h6-7,12,17H,5H2,1-4H3.
What are the key properties of 1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine has a molecular weight of 277.74 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 114275195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).