N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine

C16H23F2N — CID 55106547

IUPACN-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(Cc2cccc(F)c2F)CCCCC1
InChIInChI=1S/C16H23F2N/c1-2-19-12-16(9-4-3-5-10-16)11-13-7-6-8-14(17)15(13)18/h6-8,19H,2-5,9-12H2,1H3
InChIKeyMYYYQUSQYLAARR-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.07
Rot. Bonds5

About N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine

N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine (PubChem CID 55106547) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine
PubChem CID55106547
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(Cc2cccc(F)c2F)CCCCC1
InChIInChI=1S/C16H23F2N/c1-2-19-12-16(9-4-3-5-10-16)11-13-7-6-8-14(17)15(13)18/h6-8,19H,2-5,9-12H2,1H3
InChIKeyMYYYQUSQYLAARR-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62726182
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 104794650
[1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65391305
N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66024265
1-[[1-(bromomethyl)cyclobutyl]methyl]-2,3-difluorobenzene
CID 66048663
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 113453870
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 102858764
1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 102858759
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 102858970
N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 55111300
1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63820897
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine (CID 55106547) is N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine is CCNCC1(Cc2cccc(F)c2F)CCCCC1.
What is the InChIKey of N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine?
The InChIKey is MYYYQUSQYLAARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-2-19-12-16(9-4-3-5-10-16)11-13-7-6-8-14(17)15(13)18/h6-8,19H,2-5,9-12H2,1H3.
What are the key properties of N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine?
N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine has a molecular weight of 267.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 55106547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).