(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride

C11H19ClN2 — CID 66517545

IUPAC(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
SMILESCc1cc(C)c([C@@H](N)CN)c(C)c1.Cl
InChIInChI=1S/C11H18N2.ClH/c1-7-4-8(2)11(9(3)5-7)10(13)6-12;/h4-5,10H,6,12-13H2,1-3H3;1H/t10-;/m0./s1
InChIKeyCFRGBHYVZHGUCZ-PPHPATTJSA-N
MW214.74 g/mol
LogP1.99
Rot. Bonds2

About (1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride

(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 66517545) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is (1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
PubChem CID66517545
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
SMILESCc1cc(C)c([C@@H](N)CN)c(C)c1.Cl
InChIInChI=1S/C11H18N2.ClH/c1-7-4-8(2)11(9(3)5-7)10(13)6-12;/h4-5,10H,6,12-13H2,1-3H3;1H/t10-;/m0./s1
InChIKeyCFRGBHYVZHGUCZ-PPHPATTJSA-N
XLogP1.99
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820
(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride
CID 171225337
N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 66808934
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
(1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride
CID 171232942
bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese
CID 66808819
1-[2,6-bis[1-(3,5-dimethylphenyl)ethyl]-4-methylphenyl]ethane-1,2-diamine
CID 175193381
2-(4-ethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 115803358
5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 105024104
2-(3,4-dimethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 63522355
chloro-(2,4,6-trimethylphenyl)methanamine
CID 116947745

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride (CID 66517545) is (1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride is Cc1cc(C)c([C@@H](N)CN)c(C)c1.Cl.
What is the InChIKey of (1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is CFRGBHYVZHGUCZ-PPHPATTJSA-N. The full InChI is InChI=1S/C11H18N2.ClH/c1-7-4-8(2)11(9(3)5-7)10(13)6-12;/h4-5,10H,6,12-13H2,1-3H3;1H/t10-;/m0./s1.
What are the key properties of (1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride?
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 214.74 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 66517545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).