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

C16H19NO2 — CID 36689288

IUPAC(1S)-1,2-bis(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C[C@H](N)c1ccccc1OC
InChIInChI=1S/C16H19NO2/c1-18-15-9-5-3-7-12(15)11-14(17)13-8-4-6-10-16(13)19-2/h3-10,14H,11,17H2,1-2H3/t14-/m0/s1
InChIKeyKXVQWBRFAKVCSY-AWEZNQCLSA-N
MW257.33 g/mol
LogP2.95
Rot. Bonds5

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

(1S)-1,2-bis(2-methoxyphenyl)ethanamine (PubChem CID 36689288) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1S)-1,2-bis(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1,2-bis(2-methoxyphenyl)ethanamine
PubChem CID36689288
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(1S)-1,2-bis(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C[C@H](N)c1ccccc1OC
InChIInChI=1S/C16H19NO2/c1-18-15-9-5-3-7-12(15)11-14(17)13-8-4-6-10-16(13)19-2/h3-10,14H,11,17H2,1-2H3/t14-/m0/s1
InChIKeyKXVQWBRFAKVCSY-AWEZNQCLSA-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

(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802123
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107599
1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 79724225
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625
1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 61079999
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779

Frequently Asked Questions

What is the IUPAC name of (1S)-1,2-bis(2-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-1,2-bis(2-methoxyphenyl)ethanamine (CID 36689288) is (1S)-1,2-bis(2-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1,2-bis(2-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-1,2-bis(2-methoxyphenyl)ethanamine is COc1ccccc1C[C@H](N)c1ccccc1OC.
What is the InChIKey of (1S)-1,2-bis(2-methoxyphenyl)ethanamine?
The InChIKey is KXVQWBRFAKVCSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO2/c1-18-15-9-5-3-7-12(15)11-14(17)13-8-4-6-10-16(13)19-2/h3-10,14H,11,17H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1,2-bis(2-methoxyphenyl)ethanamine?
(1S)-1,2-bis(2-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(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 36689288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).