1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine

C14H21F2NO — CID 105137730

IUPAC1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine
SMILESCNC(CCC(C)OC)Cc1cccc(F)c1F
InChIInChI=1S/C14H21F2NO/c1-10(18-3)7-8-12(17-2)9-11-5-4-6-13(15)14(11)16/h4-6,10,12,17H,7-9H2,1-3H3
InChIKeyPEYANDGBFBFACW-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.91
Rot. Bonds7

About 1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine

1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine (PubChem CID 105137730) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine
PubChem CID105137730
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine
SMILESCNC(CCC(C)OC)Cc1cccc(F)c1F
InChIInChI=1S/C14H21F2NO/c1-10(18-3)7-8-12(17-2)9-11-5-4-6-13(15)14(11)16/h4-6,10,12,17H,7-9H2,1-3H3
InChIKeyPEYANDGBFBFACW-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine
CID 105137719
4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291249
1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine
CID 105037105
1-(2,3-difluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148436
1-(2-chloro-4-fluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105133236
1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 105003817
1-(2,3-difluorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-2-amine
CID 115809477
5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
CID 105123547
1-(2,3-difluorophenyl)-N-ethyl-4-methoxybutan-2-amine
CID 55095513
6-methoxy-N-methyl-1-phenylheptan-3-amine
CID 105094085
1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 62604659
1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 106865944

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine (CID 105137730) is 1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine is CNC(CCC(C)OC)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine?
The InChIKey is PEYANDGBFBFACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-10(18-3)7-8-12(17-2)9-11-5-4-6-13(15)14(11)16/h4-6,10,12,17H,7-9H2,1-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine?
1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine has a molecular weight of 257.32 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine is sourced from PubChem (CID 105137730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).