(1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride

C13H23ClN2 — CID 171232942

IUPAC(1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride
SMILESCc1c(C)c(C)c([C@@H](N)CN)c(C)c1C.Cl
InChIInChI=1S/C13H22N2.ClH/c1-7-8(2)10(4)13(12(15)6-14)11(5)9(7)3;/h12H,6,14-15H2,1-5H3;1H/t12-;/m0./s1
InChIKeySELRXKCLHRACLZ-YDALLXLXSA-N
MW242.79 g/mol
LogP2.61
Rot. Bonds2

About (1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride

(1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171232942) has the molecular formula C13H23ClN2 and a molecular weight of 242.79 g/mol. Its IUPAC name is (1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171232942
Molecular FormulaC13H23ClN2
Molecular Weight242.79 g/mol
Exact Mass242.15
IUPAC Name(1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride
SMILESCc1c(C)c(C)c([C@@H](N)CN)c(C)c1C.Cl
InChIInChI=1S/C13H22N2.ClH/c1-7-8(2)10(4)13(12(15)6-14)11(5)9(7)3;/h12H,6,14-15H2,1-5H3;1H/t12-;/m0./s1
InChIKeySELRXKCLHRACLZ-YDALLXLXSA-N
XLogP2.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.79
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
(1S)-3-methyl-1-(2,3,4,5,6-pentamethylphenyl)butan-1-amine
CID 28525663
2-[(1S)-1,2-diaminoethyl]-4-fluoro-3-methylphenol
CID 130618119
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
2-[(1R)-1,2-diaminoethyl]benzene-1,3,5-triol;hydrochloride
CID 171236660
(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171223663
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid
CID 65298529
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
6-amino-2-[(1R)-1,2-diaminoethyl]-3-methylphenol
CID 131008414

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride (CID 171232942) is (1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride is Cc1c(C)c(C)c([C@@H](N)CN)c(C)c1C.Cl.
What is the InChIKey of (1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is SELRXKCLHRACLZ-YDALLXLXSA-N. The full InChI is InChI=1S/C13H22N2.ClH/c1-7-8(2)10(4)13(12(15)6-14)11(5)9(7)3;/h12H,6,14-15H2,1-5H3;1H/t12-;/m0./s1.
What are the key properties of (1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride?
(1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 242.79 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3,4,5,6-pentamethylphenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171232942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).