N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine

C14H21F2NO2 — CID 63057486

IUPACN-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1cc(CNCC(C)C)ccc1OCC(F)F
InChIInChI=1S/C14H21F2NO2/c1-10(2)7-17-8-11-4-5-12(13(6-11)18-3)19-9-14(15)16/h4-6,10,14,17H,7-9H2,1-3H3
InChIKeyDLOYBWNFJGVZFY-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.08
Rot. Bonds8

About N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine

N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63057486) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
PubChem CID63057486
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC NameN-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1cc(CNCC(C)C)ccc1OCC(F)F
InChIInChI=1S/C14H21F2NO2/c1-10(2)7-17-8-11-4-5-12(13(6-11)18-3)19-9-14(15)16/h4-6,10,14,17H,7-9H2,1-3H3
InChIKeyDLOYBWNFJGVZFY-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2,2-difluoroethoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63058247
N-[[4-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106899
1-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 63057656
N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63484932
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
N-[[3-bromo-4-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057848
N-[[3-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106033
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4719506
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63058330
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine (CID 63057486) is N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine is COc1cc(CNCC(C)C)ccc1OCC(F)F.
What is the InChIKey of N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DLOYBWNFJGVZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-10(2)7-17-8-11-4-5-12(13(6-11)18-3)19-9-14(15)16/h4-6,10,14,17H,7-9H2,1-3H3.
What are the key properties of N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63057486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).