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

C14H21F2NO2 — CID 105044561

IUPAC1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine
SMILESCNC(c1ccccc1OC(F)F)C(C)CCOC
InChIInChI=1S/C14H21F2NO2/c1-10(8-9-18-3)13(17-2)11-6-4-5-7-12(11)19-14(15)16/h4-7,10,13-14,17H,8-9H2,1-3H3
InChIKeyQMTRFIXMTMFPKU-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.22
Rot. Bonds8

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

1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 105044561) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine
PubChem CID105044561
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine
SMILESCNC(c1ccccc1OC(F)F)C(C)CCOC
InChIInChI=1S/C14H21F2NO2/c1-10(8-9-18-3)13(17-2)11-6-4-5-7-12(11)19-14(15)16/h4-7,10,13-14,17H,8-9H2,1-3H3
InChIKeyQMTRFIXMTMFPKU-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine
CID 115834429
1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine
CID 114246284
1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481244
1-[2-(difluoromethoxy)phenyl]-4,4,4-trifluoro-N-methylbutan-1-amine
CID 104992818
1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158841
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995
1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044504
1-(1-chloroethyl)-2-(difluoromethoxy)benzene
CID 43114935
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044732
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119716606

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine (CID 105044561) is 1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine is CNC(c1ccccc1OC(F)F)C(C)CCOC.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is QMTRFIXMTMFPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-10(8-9-18-3)13(17-2)11-6-4-5-7-12(11)19-14(15)16/h4-7,10,13-14,17H,8-9H2,1-3H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine?
1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 105044561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).