N-[(2,5-difluorophenyl)methyl]hexan-2-amine

C13H19F2N — CID 62196749

IUPACN-[(2,5-difluorophenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cc(F)ccc1F
InChIInChI=1S/C13H19F2N/c1-3-4-5-10(2)16-9-11-8-12(14)6-7-13(11)15/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyDZEFAYZLFXTPCA-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.63
Rot. Bonds6

About N-[(2,5-difluorophenyl)methyl]hexan-2-amine

N-[(2,5-difluorophenyl)methyl]hexan-2-amine (PubChem CID 62196749) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]hexan-2-amine
PubChem CID62196749
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[(2,5-difluorophenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cc(F)ccc1F
InChIInChI=1S/C13H19F2N/c1-3-4-5-10(2)16-9-11-8-12(14)6-7-13(11)15/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyDZEFAYZLFXTPCA-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909
N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine
CID 62201141
N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine
CID 105370909
N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine
CID 63455979
(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104868144
N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine
CID 63793740
N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
N-[(2,5-difluorophenyl)methyl]hexan-3-amine
CID 62119463
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine
CID 82262467
N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 115726286
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
CID 113453549

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]hexan-2-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]hexan-2-amine (CID 62196749) is N-[(2,5-difluorophenyl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]hexan-2-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]hexan-2-amine is CCCCC(C)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]hexan-2-amine?
The InChIKey is DZEFAYZLFXTPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-4-5-10(2)16-9-11-8-12(14)6-7-13(11)15/h6-8,10,16H,3-5,9H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]hexan-2-amine?
N-[(2,5-difluorophenyl)methyl]hexan-2-amine has a molecular weight of 227.30 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]hexan-2-amine is sourced from PubChem (CID 62196749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).