N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine

C18H20ClF2NO3 — CID 119126848

IUPACN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cccc(OC(F)F)c2)c(Cl)c1OC
InChIInChI=1S/C18H20ClF2NO3/c1-11(12-5-4-6-14(9-12)25-18(20)21)22-10-13-7-8-15(23-2)17(24-3)16(13)19/h4-9,11,18,22H,10H2,1-3H3
InChIKeyCIXQGCCJQXMLJU-UHFFFAOYSA-N
MW371.81 g/mol
LogP4.81
Rot. Bonds8

About N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine

N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine (PubChem CID 119126848) has the molecular formula C18H20ClF2NO3 and a molecular weight of 371.81 g/mol. Its IUPAC name is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
PubChem CID119126848
Molecular FormulaC18H20ClF2NO3
Molecular Weight371.81 g/mol
Exact Mass371.11
IUPAC NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cccc(OC(F)F)c2)c(Cl)c1OC
InChIInChI=1S/C18H20ClF2NO3/c1-11(12-5-4-6-14(9-12)25-18(20)21)22-10-13-7-8-15(23-2)17(24-3)16(13)19/h4-9,11,18,22H,10H2,1-3H3
InChIKeyCIXQGCCJQXMLJU-UHFFFAOYSA-N
XLogP4.81
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine with MolForge

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 119126832
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103954655
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 102615845
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376151
(1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 30620479
1-[3-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 79570391
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354628
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide
CID 63627273
1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47010201
1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 112815867

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine (CID 119126848) is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine is COc1ccc(CNC(C)c2cccc(OC(F)F)c2)c(Cl)c1OC.
What is the InChIKey of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine?
The InChIKey is CIXQGCCJQXMLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF2NO3/c1-11(12-5-4-6-14(9-12)25-18(20)21)22-10-13-7-8-15(23-2)17(24-3)16(13)19/h4-9,11,18,22H,10H2,1-3H3.
What are the key properties of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine?
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine has a molecular weight of 371.81 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 119126848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).