5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline

C15H24N2O — CID 150653797

IUPAC5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline
SMILESCOc1ccc(C2CCC(N(C)C)CC2)cc1N
InChIInChI=1S/C15H24N2O/c1-17(2)13-7-4-11(5-8-13)12-6-9-15(18-3)14(16)10-12/h6,9-11,13H,4-5,7-8,16H2,1-3H3
InChIKeyJCLBBJIXZCSLLA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.87
Rot. Bonds3

About 5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline

5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline (PubChem CID 150653797) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline
PubChem CID150653797
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline
SMILESCOc1ccc(C2CCC(N(C)C)CC2)cc1N
InChIInChI=1S/C15H24N2O/c1-17(2)13-7-4-11(5-8-13)12-6-9-15(18-3)14(16)10-12/h6,9-11,13H,4-5,7-8,16H2,1-3H3
InChIKeyJCLBBJIXZCSLLA-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline
CID 135211692
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
2-methoxy-5-piperidin-2-ylaniline
CID 117116326
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 57416153
3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43263870
4-cyclopropyl-2-methoxy-1-methylbenzene;ethane
CID 168942546
4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
CID 30029908
2-methoxy-5-(thian-4-yl)phenol
CID 84689296
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
CID 55000180
4-cyclopropyl-2-methylsulfanylaniline
CID 134439022
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene
CID 145237121

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline?
The IUPAC name of 5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline (CID 150653797) is 5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline.
What is the SMILES notation for 5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline?
The canonical SMILES for 5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline is COc1ccc(C2CCC(N(C)C)CC2)cc1N.
What is the InChIKey of 5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline?
The InChIKey is JCLBBJIXZCSLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(2)13-7-4-11(5-8-13)12-6-9-15(18-3)14(16)10-12/h6,9-11,13H,4-5,7-8,16H2,1-3H3.
What are the key properties of 5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline?
5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline has a molecular weight of 248.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline is sourced from PubChem (CID 150653797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).