(1S)-1,2-bis(3-methoxyphenyl)ethanamine

C16H19NO2 — CID 40618709

IUPAC(1S)-1,2-bis(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C[C@H](N)c2cccc(OC)c2)c1
InChIInChI=1S/C16H19NO2/c1-18-14-7-3-5-12(9-14)10-16(17)13-6-4-8-15(11-13)19-2/h3-9,11,16H,10,17H2,1-2H3/t16-/m0/s1
InChIKeyAZKRQENWCLQWEE-INIZCTEOSA-N
MW257.33 g/mol
LogP2.95
Rot. Bonds5

About (1S)-1,2-bis(3-methoxyphenyl)ethanamine

(1S)-1,2-bis(3-methoxyphenyl)ethanamine (PubChem CID 40618709) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1S)-1,2-bis(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1,2-bis(3-methoxyphenyl)ethanamine
PubChem CID40618709
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(1S)-1,2-bis(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C[C@H](N)c2cccc(OC)c2)c1
InChIInChI=1S/C16H19NO2/c1-18-14-7-3-5-12(9-14)10-16(17)13-6-4-8-15(11-13)19-2/h3-9,11,16H,10,17H2,1-2H3/t16-/m0/s1
InChIKeyAZKRQENWCLQWEE-INIZCTEOSA-N
XLogP2.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
2-(3-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43095852
2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine
CID 62607710
1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 61078688
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 63021274
2-(3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155644
2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
CID 62796466
5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43186861
2-(3-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43110626

Frequently Asked Questions

What is the IUPAC name of (1S)-1,2-bis(3-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-1,2-bis(3-methoxyphenyl)ethanamine (CID 40618709) is (1S)-1,2-bis(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1,2-bis(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-1,2-bis(3-methoxyphenyl)ethanamine is COc1cccc(C[C@H](N)c2cccc(OC)c2)c1.
What is the InChIKey of (1S)-1,2-bis(3-methoxyphenyl)ethanamine?
The InChIKey is AZKRQENWCLQWEE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO2/c1-18-14-7-3-5-12(9-14)10-16(17)13-6-4-8-15(11-13)19-2/h3-9,11,16H,10,17H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-1,2-bis(3-methoxyphenyl)ethanamine?
(1S)-1,2-bis(3-methoxyphenyl)ethanamine has a molecular weight of 257.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,2-bis(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 40618709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).