1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine

C14H18N2 — CID 141224946

IUPAC1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine
SMILESCc1ccccc1C1=CC=CC(N)C1(C)N
InChIInChI=1S/C14H18N2/c1-10-6-3-4-7-11(10)12-8-5-9-13(15)14(12,2)16/h3-9,13H,15-16H2,1-2H3
InChIKeyQMNABUGRTOAQLI-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.99
Rot. Bonds1

About 1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine

1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 141224946) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID141224946
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine
SMILESCc1ccccc1C1=CC=CC(N)C1(C)N
InChIInChI=1S/C14H18N2/c1-10-6-3-4-7-11(10)12-8-5-9-13(15)14(12,2)16/h3-9,13H,15-16H2,1-2H3
InChIKeyQMNABUGRTOAQLI-UHFFFAOYSA-N
XLogP1.99
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3007
Dextroamphetamine
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Tranylcypromine
CID 5530
(-)-Amphetamine
CID 32893
1-Phenethylamine
CID 7408
1-Phenylcyclohexylamine
CID 31862
(1R,2S)-Tranylcypromine
CID 19493
1-Methyl-3-phenylpropylamine
CID 31160
1-Phenethylamine, (-)-
CID 75818
1-Phenethylamine, (+)-
CID 643189
2-Phenylpropylamine
CID 11398
(+)-Tranylcypromine
CID 26070

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine (CID 141224946) is 1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine is Cc1ccccc1C1=CC=CC(N)C1(C)N.
What is the InChIKey of 1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is QMNABUGRTOAQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-6-3-4-7-11(10)12-8-5-9-13(15)14(12,2)16/h3-9,13H,15-16H2,1-2H3.
What are the key properties of 1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine?
1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 214.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2-methylphenyl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 141224946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).