(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine

C18H23NO2 — CID 81350448

IUPAC(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
SMILESCOc1ccc(C(C)N[C@H](C)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H23NO2/c1-13(15-8-6-5-7-9-15)19-14(2)17-11-10-16(20-3)12-18(17)21-4/h5-14,19H,1-4H3/t13-,14?/m1/s1
InChIKeyDWMUOQWDZXLSJB-KWCCSABGSA-N
MW285.39 g/mol
LogP4.12
Rot. Bonds6

About (1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine

(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine (PubChem CID 81350448) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
PubChem CID81350448
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
SMILESCOc1ccc(C(C)N[C@H](C)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H23NO2/c1-13(15-8-6-5-7-9-15)19-14(2)17-11-10-16(20-3)12-18(17)21-4/h5-14,19H,1-4H3/t13-,14?/m1/s1
InChIKeyDWMUOQWDZXLSJB-KWCCSABGSA-N
XLogP4.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43206054
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
(1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine
CID 14247701
2,4-dimethoxy-N-(1-phenylethyl)aniline
CID 11586940
2,4-dimethoxy-1-[(1S,2R)-2,3,3-trimethyl-1-phenylbutyl]benzene
CID 134977558
(2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 97322629
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371563

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine (CID 81350448) is (1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine is COc1ccc(C(C)N[C@H](C)c2ccccc2)c(OC)c1.
What is the InChIKey of (1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine?
The InChIKey is DWMUOQWDZXLSJB-KWCCSABGSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(15-8-6-5-7-9-15)19-14(2)17-11-10-16(20-3)12-18(17)21-4/h5-14,19H,1-4H3/t13-,14?/m1/s1.
What are the key properties of (1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine?
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine has a molecular weight of 285.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 81350448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).