(1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

C18H21Cl2NO3 — CID 30620479

IUPAC(1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)c(OC)c1OC
InChIInChI=1S/C18H21Cl2NO3/c1-11(12-5-7-14(19)15(20)9-12)21-10-13-6-8-16(22-2)18(24-4)17(13)23-3/h5-9,11,21H,10H2,1-4H3/t11-/m1/s1
InChIKeyYMPWZVGFYMYOBC-LLVKDONJSA-N
MW370.28 g/mol
LogP4.87
Rot. Bonds7

About (1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

(1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (PubChem CID 30620479) has the molecular formula C18H21Cl2NO3 and a molecular weight of 370.28 g/mol. Its IUPAC name is (1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
PubChem CID30620479
Molecular FormulaC18H21Cl2NO3
Molecular Weight370.28 g/mol
Exact Mass369.09
IUPAC Name(1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)c(OC)c1OC
InChIInChI=1S/C18H21Cl2NO3/c1-11(12-5-7-14(19)15(20)9-12)21-10-13-6-8-16(22-2)18(24-4)17(13)23-3/h5-9,11,21H,10H2,1-4H3/t11-/m1/s1
InChIKeyYMPWZVGFYMYOBC-LLVKDONJSA-N
XLogP4.87
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47010201
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 65022720
1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 47008256
(1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 94114613
1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47027581
1-(2,5-dimethylthiophen-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 86931333
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
1-(2,5-dimethylfuran-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47081563
3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463338
N-[1-(3-chloro-4-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115623649
(2S)-2-N-[(2,3,4-trimethoxyphenyl)methyl]propane-1,2-diamine
CID 104867748
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 119126848

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (CID 30620479) is (1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is COc1ccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)c(OC)c1OC.
What is the InChIKey of (1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is YMPWZVGFYMYOBC-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21Cl2NO3/c1-11(12-5-7-14(19)15(20)9-12)21-10-13-6-8-16(22-2)18(24-4)17(13)23-3/h5-9,11,21H,10H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
(1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 370.28 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 30620479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).