1-(2,3,4-trimethylphenyl)ethane-1,2-diamine

C11H18N2 — CID 116855521

IUPAC1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN)c(C)c1C
InChIInChI=1S/C11H18N2/c1-7-4-5-10(11(13)6-12)9(3)8(7)2/h4-5,11H,6,12-13H2,1-3H3
InChIKeyCWSYBUUOXMYQSZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.57
Rot. Bonds2

About 1-(2,3,4-trimethylphenyl)ethane-1,2-diamine

1-(2,3,4-trimethylphenyl)ethane-1,2-diamine (PubChem CID 116855521) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(2,3,4-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
PubChem CID116855521
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN)c(C)c1C
InChIInChI=1S/C11H18N2/c1-7-4-5-10(11(13)6-12)9(3)8(7)2/h4-5,11H,6,12-13H2,1-3H3
InChIKeyCWSYBUUOXMYQSZ-UHFFFAOYSA-N
XLogP1.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2,3,4-trimethylphenyl)ethanethiol
CID 116830565
3-amino-3-(2,3,4-trimethylphenyl)propanamide
CID 116850990
3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116937424
2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116934101
2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936522
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960302
3-chloro-6-[(1S)-1,2-diaminoethyl]-2-methylphenol
CID 66517046
(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine
CID 130648897
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 66517614
N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116949089

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3,4-trimethylphenyl)ethane-1,2-diamine (CID 116855521) is 1-(2,3,4-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3,4-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3,4-trimethylphenyl)ethane-1,2-diamine is Cc1ccc(C(N)CN)c(C)c1C.
What is the InChIKey of 1-(2,3,4-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is CWSYBUUOXMYQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-7-4-5-10(11(13)6-12)9(3)8(7)2/h4-5,11H,6,12-13H2,1-3H3.
What are the key properties of 1-(2,3,4-trimethylphenyl)ethane-1,2-diamine?
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 116855521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).