N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine

C15H23F2N — CID 43101920

IUPACN-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NC(C)c1c(F)cccc1F
InChIInChI=1S/C15H23F2N/c1-10(2)8-9-11(3)18-12(4)15-13(16)6-5-7-14(15)17/h5-7,10-12,18H,8-9H2,1-4H3
InChIKeySBGMUIZWVABQFA-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.44
Rot. Bonds6

About N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine

N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine (PubChem CID 43101920) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine
PubChem CID43101920
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NC(C)c1c(F)cccc1F
InChIInChI=1S/C15H23F2N/c1-10(2)8-9-11(3)18-12(4)15-13(16)6-5-7-14(15)17/h5-7,10-12,18H,8-9H2,1-4H3
InChIKeySBGMUIZWVABQFA-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine
CID 43746058
2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine
CID 103389171
N-[1-(2,6-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191829
1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine
CID 43695741
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765
2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253650
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine
CID 81357194
N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43201964
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine
CID 112695750
N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81396911

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine (CID 43101920) is N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine is CC(C)CCC(C)NC(C)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine?
The InChIKey is SBGMUIZWVABQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-10(2)8-9-11(3)18-12(4)15-13(16)6-5-7-14(15)17/h5-7,10-12,18H,8-9H2,1-4H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine?
N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine has a molecular weight of 255.35 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 43101920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).