N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine

C14H21F2NO3 — CID 51078381

IUPACN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine
SMILESCCOc1cc(CN(C)CCOC)ccc1OC(F)F
InChIInChI=1S/C14H21F2NO3/c1-4-19-13-9-11(10-17(2)7-8-18-3)5-6-12(13)20-14(15)16/h5-6,9,14H,4,7-8,10H2,1-3H3
InChIKeyMRTNVJNWTQVDKU-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.76
Rot. Bonds9

About N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine (PubChem CID 51078381) has the molecular formula C14H21F2NO3 and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine
PubChem CID51078381
Molecular FormulaC14H21F2NO3
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine
SMILESCCOc1cc(CN(C)CCOC)ccc1OC(F)F
InChIInChI=1S/C14H21F2NO3/c1-4-19-13-9-11(10-17(2)7-8-18-3)5-6-12(13)20-14(15)16/h5-6,9,14H,4,7-8,10H2,1-3H3
InChIKeyMRTNVJNWTQVDKU-UHFFFAOYSA-N
XLogP2.76
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
CID 55104178
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol
CID 51080580
4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 46406297
methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate
CID 55627952
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-fluoro-N,2-dimethylbenzamide
CID 55612338
5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55852083
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-(2,3-dimethylphenoxy)-N-methylpropanamide
CID 55612138
N-(tert-butylcarbamoyl)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetamide
CID 46405970
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120588496
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine
CID 55628162
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride
CID 119285906

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine (CID 51078381) is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine is CCOc1cc(CN(C)CCOC)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine?
The InChIKey is MRTNVJNWTQVDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO3/c1-4-19-13-9-11(10-17(2)7-8-18-3)5-6-12(13)20-14(15)16/h5-6,9,14H,4,7-8,10H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine?
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine has a molecular weight of 289.32 g/mol, XLogP of 2.76, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 51078381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).