(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine

C20H28N2 — CID 11289465

IUPAC(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c([C@H](N)[C@@H](N)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H28N2/c1-11-7-13(3)17(14(4)8-11)19(21)20(22)18-15(5)9-12(2)10-16(18)6/h7-10,19-20H,21-22H2,1-6H3/t19-,20-/m0/s1
InChIKeyILMRHFMYIXTNMC-PMACEKPBSA-N
MW296.46 g/mol
LogP4.24
Rot. Bonds3

About (1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine

(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 11289465) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID11289465
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c([C@H](N)[C@@H](N)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H28N2/c1-11-7-13(3)17(14(4)8-11)19(21)20(22)18-15(5)9-12(2)10-16(18)6/h7-10,19-20H,21-22H2,1-6H3/t19-,20-/m0/s1
InChIKeyILMRHFMYIXTNMC-PMACEKPBSA-N
XLogP4.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
chloro-(2,4,6-trimethylphenyl)methanamine
CID 116947745
3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 116938024
2-cyclopropyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 83154874
(1S,2R)-1-amino-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-ol;hydrochloride
CID 171268351
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol
CID 171268340
1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
CID 55282598
2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine
CID 79298168
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 116939016
methyl 2-[amino-(2,4,6-trimethylphenyl)methyl]butanoate
CID 116945983
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of (1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 11289465) is (1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for (1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine is Cc1cc(C)c([C@H](N)[C@@H](N)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of (1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is ILMRHFMYIXTNMC-PMACEKPBSA-N. The full InChI is InChI=1S/C20H28N2/c1-11-7-13(3)17(14(4)8-11)19(21)20(22)18-15(5)9-12(2)10-16(18)6/h7-10,19-20H,21-22H2,1-6H3/t19-,20-/m0/s1.
What are the key properties of (1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine?
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 296.46 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 11289465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).