(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride

C11H19ClN2O3 — CID 171201024

IUPAC(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
SMILESCOc1cc(OC)c([C@H](N)CN)c(OC)c1.Cl
InChIInChI=1S/C11H18N2O3.ClH/c1-14-7-4-9(15-2)11(8(13)6-12)10(5-7)16-3;/h4-5,8H,6,12-13H2,1-3H3;1H/t8-;/m1./s1
InChIKeyNZNHFUGOOWVOAK-DDWIOCJRSA-N
MW262.74 g/mol
LogP1.09
Rot. Bonds5

About (1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride

(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171201024) has the molecular formula C11H19ClN2O3 and a molecular weight of 262.74 g/mol. Its IUPAC name is (1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171201024
Molecular FormulaC11H19ClN2O3
Molecular Weight262.74 g/mol
Exact Mass262.11
IUPAC Name(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
SMILESCOc1cc(OC)c([C@H](N)CN)c(OC)c1.Cl
InChIInChI=1S/C11H18N2O3.ClH/c1-14-7-4-9(15-2)11(8(13)6-12)10(5-7)16-3;/h4-5,8H,6,12-13H2,1-3H3;1H/t8-;/m1./s1
InChIKeyNZNHFUGOOWVOAK-DDWIOCJRSA-N
XLogP1.09
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S)-1,2-diaminoethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207071
(1R)-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171201026
(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201035
(1S)-3,3-difluoro-1-(2,4,6-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 171312905
(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171201038
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116933123
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol
CID 171201068
methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride
CID 171246661
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207100

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride (CID 171201024) is (1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride is COc1cc(OC)c([C@H](N)CN)c(OC)c1.Cl.
What is the InChIKey of (1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is NZNHFUGOOWVOAK-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H18N2O3.ClH/c1-14-7-4-9(15-2)11(8(13)6-12)10(5-7)16-3;/h4-5,8H,6,12-13H2,1-3H3;1H/t8-;/m1./s1.
What are the key properties of (1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride?
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171201024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).