2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine

C17H21NO3 — CID 61077725

IUPAC2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(OC)c(C(N)Cc2ccccc2)cc1OC
InChIInChI=1S/C17H21NO3/c1-19-15-11-17(21-3)16(20-2)10-13(15)14(18)9-12-7-5-4-6-8-12/h4-8,10-11,14H,9,18H2,1-3H3
InChIKeyLNCXIORSKCUNGV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.95
Rot. Bonds6

About 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine

2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine (PubChem CID 61077725) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine
PubChem CID61077725
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(OC)c(C(N)Cc2ccccc2)cc1OC
InChIInChI=1S/C17H21NO3/c1-19-15-11-17(21-3)16(20-2)10-13(15)14(18)9-12-7-5-4-6-8-12/h4-8,10-11,14H,9,18H2,1-3H3
InChIKeyLNCXIORSKCUNGV-UHFFFAOYSA-N
XLogP2.95
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 43121506
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine
CID 65477894
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
CID 171214368
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine
CID 171214322
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214333
1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061
2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 170892300
(1R,2S)-1-amino-1-(2-bromo-4,5-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171260969

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine (CID 61077725) is 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine is COc1cc(OC)c(C(N)Cc2ccccc2)cc1OC.
What is the InChIKey of 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is LNCXIORSKCUNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-15-11-17(21-3)16(20-2)10-13(15)14(18)9-12-7-5-4-6-8-12/h4-8,10-11,14H,9,18H2,1-3H3.
What are the key properties of 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine?
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 61077725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).