(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine

C18H22ClNO3 — CID 30621148

IUPAC(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(OC)c(OC)cc1CN[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO3/c1-12(13-5-7-15(19)8-6-13)20-11-14-9-17(22-3)18(23-4)10-16(14)21-2/h5-10,12,20H,11H2,1-4H3/t12-/m1/s1
InChIKeyRPYCPFOIXXUWJP-GFCCVEGCSA-N
MW335.83 g/mol
LogP4.22
Rot. Bonds7

About (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine

(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine (PubChem CID 30621148) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
PubChem CID30621148
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(OC)c(OC)cc1CN[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO3/c1-12(13-5-7-15(19)8-6-13)20-11-14-9-17(22-3)18(23-4)10-16(14)21-2/h5-10,12,20H,11H2,1-4H3/t12-/m1/s1
InChIKeyRPYCPFOIXXUWJP-GFCCVEGCSA-N
XLogP4.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43079660
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17293395
1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791683
(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81352293
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28645174
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762172
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 78950351
1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 43221556
N-[(4-chloro-2-methylphenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 104853881
(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81368416

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine (CID 30621148) is (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine is COc1cc(OC)c(OC)cc1CN[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is RPYCPFOIXXUWJP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22ClNO3/c1-12(13-5-7-15(19)8-6-13)20-11-14-9-17(22-3)18(23-4)10-16(14)21-2/h5-10,12,20H,11H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 335.83 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 30621148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).