N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine

C19H26ClNO4 — CID 119125275

IUPACN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine
SMILESCOc1ccc(CNC(COCC(C)C)c2ccco2)c(Cl)c1OC
InChIInChI=1S/C19H26ClNO4/c1-13(2)11-24-12-15(16-6-5-9-25-16)21-10-14-7-8-17(22-3)19(23-4)18(14)20/h5-9,13,15,21H,10-12H2,1-4H3
InChIKeyKZVLDZRUPDXIIN-UHFFFAOYSA-N
MW367.87 g/mol
LogP4.45
Rot. Bonds10

About N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine

N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine (PubChem CID 119125275) has the molecular formula C19H26ClNO4 and a molecular weight of 367.87 g/mol. Its IUPAC name is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine
PubChem CID119125275
Molecular FormulaC19H26ClNO4
Molecular Weight367.87 g/mol
Exact Mass367.16
IUPAC NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine
SMILESCOc1ccc(CNC(COCC(C)C)c2ccco2)c(Cl)c1OC
InChIInChI=1S/C19H26ClNO4/c1-13(2)11-24-12-15(16-6-5-9-25-16)21-10-14-7-8-17(22-3)19(23-4)18(14)20/h5-9,13,15,21H,10-12H2,1-4H3
InChIKeyKZVLDZRUPDXIIN-UHFFFAOYSA-N
XLogP4.45
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine
CID 119110601
1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 119106924
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine
CID 119125224
2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide
CID 63627273
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine
CID 81394276
(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81388553
1-(2-chloro-3,4-dimethoxyphenyl)-N-ethoxymethanamine
CID 82710373
1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 119110603
1-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630589
1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 119106925
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 119126848

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine?
The IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine (CID 119125275) is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine is COc1ccc(CNC(COCC(C)C)c2ccco2)c(Cl)c1OC.
What is the InChIKey of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine?
The InChIKey is KZVLDZRUPDXIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO4/c1-13(2)11-24-12-15(16-6-5-9-25-16)21-10-14-7-8-17(22-3)19(23-4)18(14)20/h5-9,13,15,21H,10-12H2,1-4H3.
What are the key properties of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine?
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine has a molecular weight of 367.87 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 119125275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).