N-[(2,5-difluorophenyl)methyl]hexan-3-amine

C13H19F2N — CID 62119463

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

About N-[(2,5-difluorophenyl)methyl]hexan-3-amine

N-[(2,5-difluorophenyl)methyl]hexan-3-amine (PubChem CID 62119463) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]hexan-3-amine
PubChem CID62119463
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[(2,5-difluorophenyl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1cc(F)ccc1F
InChIInChI=1S/C13H19F2N/c1-3-5-12(4-2)16-9-10-8-11(14)6-7-13(10)15/h6-8,12,16H,3-5,9H2,1-2H3
InChIKeyRAAWLAJAEXSRPM-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

4-fluoro-3-[(hexan-3-ylamino)methyl]benzonitrile
CID 55033265
N-[(2,5-difluorophenyl)methyl]hex-1-yn-3-amine
CID 106227080
N-[(4-chloro-2-fluorophenyl)methyl]hexan-3-amine
CID 114842256
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
N-[(4-fluorophenyl)methyl]hexan-3-amine
CID 62118907
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine
CID 63795497
1-(2,5-difluorophenyl)pentan-2-ylhydrazine
CID 105202060
3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol
CID 111449155
N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine
CID 62117809
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910013
N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine
CID 63793740

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]hexan-3-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]hexan-3-amine (CID 62119463) is N-[(2,5-difluorophenyl)methyl]hexan-3-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]hexan-3-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]hexan-3-amine is CCCC(CC)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]hexan-3-amine?
The InChIKey is RAAWLAJAEXSRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-5-12(4-2)16-9-10-8-11(14)6-7-13(10)15/h6-8,12,16H,3-5,9H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]hexan-3-amine?
N-[(2,5-difluorophenyl)methyl]hexan-3-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-3-amine is sourced from PubChem (CID 62119463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).