1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine

C15H23ClFNO — CID 103031231

IUPAC1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
SMILESCNC(CCC(C)(C)OC)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H23ClFNO/c1-15(2,19-4)9-8-11(18-3)10-12-13(16)6-5-7-14(12)17/h5-7,11,18H,8-10H2,1-4H3
InChIKeyDEYHALZSOJIBQF-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.81
Rot. Bonds7

About 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine

1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine (PubChem CID 103031231) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
PubChem CID103031231
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
SMILESCNC(CCC(C)(C)OC)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H23ClFNO/c1-15(2,19-4)9-8-11(18-3)10-12-13(16)6-5-7-14(12)17/h5-7,11,18H,8-10H2,1-4H3
InChIKeyDEYHALZSOJIBQF-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031888
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032302
4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291231
1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine
CID 116724461
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105106068
1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine
CID 63022661
N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656308
1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 83176029
1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 105024000
[1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105289068
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine (CID 103031231) is 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine is CNC(CCC(C)(C)OC)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine?
The InChIKey is DEYHALZSOJIBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-15(2,19-4)9-8-11(18-3)10-12-13(16)6-5-7-14(12)17/h5-7,11,18H,8-10H2,1-4H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine?
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine has a molecular weight of 287.81 g/mol, XLogP of 3.81, 7 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)-5-methoxy-N,5-dimethylhexan-2-amine is sourced from PubChem (CID 103031231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).