N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine

C15H23F2NO2 — CID 62118157

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-4-6-12(5-2)18-10-11-7-8-13(19-3)14(9-11)20-15(16)17/h7-9,12,15,18H,4-6,10H2,1-3H3
InChIKeyPXJQQYGNRYZHKN-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.96
Rot. Bonds9

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine (PubChem CID 62118157) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine
PubChem CID62118157
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-4-6-12(5-2)18-10-11-7-8-13(19-3)14(9-11)20-15(16)17/h7-9,12,15,18H,4-6,10H2,1-3H3
InChIKeyPXJQQYGNRYZHKN-UHFFFAOYSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol
CID 28723108
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]pentanoic acid
CID 65054789
3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449243
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine
CID 115581156
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-ethylpentan-3-amine
CID 65039727
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine
CID 28512615
(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide
CID 61057407
(2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]hexanoic acid
CID 120511758
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79351929
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
CID 78851352
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylcyclopropan-1-amine
CID 115635166

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine (CID 62118157) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine is CCCC(CC)NCc1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine?
The InChIKey is PXJQQYGNRYZHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-4-6-12(5-2)18-10-11-7-8-13(19-3)14(9-11)20-15(16)17/h7-9,12,15,18H,4-6,10H2,1-3H3.
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine has a molecular weight of 287.35 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine is sourced from PubChem (CID 62118157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).