N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine

C19H21F4NO3 — CID 78870383

IUPACN-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CNCc2cc(C)c(OC(F)F)c(C)c2)cc1OC(F)F
InChIInChI=1S/C19H21F4NO3/c1-11-6-14(7-12(2)17(11)27-19(22)23)10-24-9-13-4-5-15(25-3)16(8-13)26-18(20)21/h4-8,18-19,24H,9-10H2,1-3H3
InChIKeyRPIDGAGWQLZIQK-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.80
Rot. Bonds9

About N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine

N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine (PubChem CID 78870383) has the molecular formula C19H21F4NO3 and a molecular weight of 387.37 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine
PubChem CID78870383
Molecular FormulaC19H21F4NO3
Molecular Weight387.37 g/mol
Exact Mass387.15
IUPAC NameN-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CNCc2cc(C)c(OC(F)F)c(C)c2)cc1OC(F)F
InChIInChI=1S/C19H21F4NO3/c1-11-6-14(7-12(2)17(11)27-19(22)23)10-24-9-13-4-5-15(25-3)16(8-13)26-18(20)21/h4-8,18-19,24H,9-10H2,1-3H3
InChIKeyRPIDGAGWQLZIQK-UHFFFAOYSA-N
XLogP4.80
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine with MolForge

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Related Compounds

N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 78895583
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(thiophen-3-ylmethyl)methanamine
CID 60760352
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine
CID 115581156
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 63226297
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415003
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine
CID 28512615
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
CID 78851352
3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol
CID 62058897
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392778
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylethanesulfonamide
CID 102674801
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide
CID 43214494
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-propan-2-yloxypropan-1-amine
CID 29044259

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine?
The IUPAC name of N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine (CID 78870383) is N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine is COc1ccc(CNCc2cc(C)c(OC(F)F)c(C)c2)cc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine?
The InChIKey is RPIDGAGWQLZIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F4NO3/c1-11-6-14(7-12(2)17(11)27-19(22)23)10-24-9-13-4-5-15(25-3)16(8-13)26-18(20)21/h4-8,18-19,24H,9-10H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine?
N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine has a molecular weight of 387.37 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 78870383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).