2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine

C15H24N2O — CID 115117860

IUPAC2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
SMILESCOc1ccc(N(C)C2CCCCC2N)cc1C
InChIInChI=1S/C15H24N2O/c1-11-10-12(8-9-15(11)18-3)17(2)14-7-5-4-6-13(14)16/h8-10,13-14H,4-7,16H2,1-3H3
InChIKeyBOLRFCKXOZBNHC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.71
Rot. Bonds3

About 2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine

2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine (PubChem CID 115117860) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
PubChem CID115117860
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
SMILESCOc1ccc(N(C)C2CCCCC2N)cc1C
InChIInChI=1S/C15H24N2O/c1-11-10-12(8-9-15(11)18-3)17(2)14-7-5-4-6-13(14)16/h8-10,13-14H,4-7,16H2,1-3H3
InChIKeyBOLRFCKXOZBNHC-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117890
2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117888
1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117243
N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide
CID 102638874
N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine
CID 117040526
1-N-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine
CID 115117218
2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol
CID 102631429
2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine
CID 102639464
N-(2-hydroxycyclohexyl)-4-methoxy-N,3-dimethylbenzamide
CID 56922697
N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide
CID 95877860
2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine
CID 115117930
1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117215

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine (CID 115117860) is 2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine is COc1ccc(N(C)C2CCCCC2N)cc1C.
What is the InChIKey of 2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is BOLRFCKXOZBNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-10-12(8-9-15(11)18-3)17(2)14-7-5-4-6-13(14)16/h8-10,13-14H,4-7,16H2,1-3H3.
What are the key properties of 2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine?
2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 115117860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).