1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine

C15H23F2NO — CID 105137719

IUPAC1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine
SMILESCCNC(CCC(C)OC)Cc1cccc(F)c1F
InChIInChI=1S/C15H23F2NO/c1-4-18-13(9-8-11(2)19-3)10-12-6-5-7-14(16)15(12)17/h5-7,11,13,18H,4,8-10H2,1-3H3
InChIKeyDPCLMCDHICGGDD-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.30
Rot. Bonds8

About 1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine

1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine (PubChem CID 105137719) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine
PubChem CID105137719
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine
SMILESCCNC(CCC(C)OC)Cc1cccc(F)c1F
InChIInChI=1S/C15H23F2NO/c1-4-18-13(9-8-11(2)19-3)10-12-6-5-7-14(16)15(12)17/h5-7,11,13,18H,4,8-10H2,1-3H3
InChIKeyDPCLMCDHICGGDD-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105137730
1-(2,3-difluorophenyl)-N-ethyl-4-methoxybutan-2-amine
CID 55095513
1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 62604659
1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864310
1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 62605093
3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
CID 104845522
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 115849139
1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 115846974
1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 65139211
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine (CID 105137719) is 1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine is CCNC(CCC(C)OC)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine?
The InChIKey is DPCLMCDHICGGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-4-18-13(9-8-11(2)19-3)10-12-6-5-7-14(16)15(12)17/h5-7,11,13,18H,4,8-10H2,1-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine?
1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine is sourced from PubChem (CID 105137719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).