1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine

C14H21F2NO — CID 115834429

IUPAC1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1ccccc1OC(F)F
InChIInChI=1S/C14H21F2NO/c1-10(2)8-9-12(17-3)11-6-4-5-7-13(11)18-14(15)16/h4-7,10,12,14,17H,8-9H2,1-3H3
InChIKeyBUZVSFALVHBAII-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.98
Rot. Bonds7

About 1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine

1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine (PubChem CID 115834429) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine
PubChem CID115834429
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1ccccc1OC(F)F
InChIInChI=1S/C14H21F2NO/c1-10(2)8-9-12(17-3)11-6-4-5-7-13(11)18-14(15)16/h4-7,10,12,14,17H,8-9H2,1-3H3
InChIKeyBUZVSFALVHBAII-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-4,4,4-trifluoro-N-methylbutan-1-amine
CID 104992818
1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158841
3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide
CID 65236190
1-[2-(difluoromethoxy)phenyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993696
1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044561
2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115847852
1-[2-(difluoromethoxy)phenyl]-3-methylbutan-1-ol
CID 63893645
1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834345
1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821686
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine
CID 115837696
1-(1-chloroethyl)-2-(difluoromethoxy)benzene
CID 43114935

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine (CID 115834429) is 1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine is CNC(CCC(C)C)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine?
The InChIKey is BUZVSFALVHBAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-10(2)8-9-12(17-3)11-6-4-5-7-13(11)18-14(15)16/h4-7,10,12,14,17H,8-9H2,1-3H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine?
1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 115834429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).