N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine

C14H21F2NO2 — CID 83107503

IUPACN-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C(F)(F)CNCC(C)C)cc1OC
InChIInChI=1S/C14H21F2NO2/c1-10(2)8-17-9-14(15,16)11-5-6-12(18-3)13(7-11)19-4/h5-7,10,17H,8-9H2,1-4H3
InChIKeyBIQGCWHRROFDLL-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.04
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine

N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine (PubChem CID 83107503) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine
PubChem CID83107503
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C(F)(F)CNCC(C)C)cc1OC
InChIInChI=1S/C14H21F2NO2/c1-10(2)8-17-9-14(15,16)11-5-6-12(18-3)13(7-11)19-4/h5-7,10,17H,8-9H2,1-4H3
InChIKeyBIQGCWHRROFDLL-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62595876
N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 83107386
N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 83108347
2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424304
3-(3,4-dimethoxyphenyl)-3,3-difluoropropanenitrile
CID 116840688
1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene
CID 163970226
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329371
4-(3,4-dimethoxyphenyl)-4,4-difluorobutanenitrile
CID 116840847
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64665230
3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81020042
2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 167264759
3-(4-chloro-3-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033271

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine (CID 83107503) is N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine is COc1ccc(C(F)(F)CNCC(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine?
The InChIKey is BIQGCWHRROFDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-10(2)8-17-9-14(15,16)11-5-6-12(18-3)13(7-11)19-4/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine?
N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 83107503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).