N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine

C15H23F2NO2 — CID 28512615

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine
SMILESCCCCCCNCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-3-4-5-6-9-18-11-12-7-8-13(19-2)14(10-12)20-15(16)17/h7-8,10,15,18H,3-6,9,11H2,1-2H3
InChIKeyIMDQOMYOULKKLJ-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.97
Rot. Bonds10

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine (PubChem CID 28512615) 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-1-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine
PubChem CID28512615
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine
SMILESCCCCCCNCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-3-4-5-6-9-18-11-12-7-8-13(19-2)14(10-12)20-15(16)17/h7-8,10,15,18H,3-6,9,11H2,1-2H3
InChIKeyIMDQOMYOULKKLJ-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-propan-2-yloxypropan-1-amine
CID 29044259
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 63226297
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine
CID 115581156
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]octan-1-amine
CID 54807740
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylethanesulfonamide
CID 102674801
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]hexan-1-amine
CID 4716850
3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol
CID 62058897
3-butoxy-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 17207562

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine (CID 28512615) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine is CCCCCCNCc1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine?
The InChIKey is IMDQOMYOULKKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-3-4-5-6-9-18-11-12-7-8-13(19-2)14(10-12)20-15(16)17/h7-8,10,15,18H,3-6,9,11H2,1-2H3.
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 3.97, 10 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-1-amine is sourced from PubChem (CID 28512615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).