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

C15H24N2O — CID 135211692

IUPAC4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline
SMILESCOc1cc(C2CCC(N(C)C)CC2)ccc1N
InChIInChI=1S/C15H24N2O/c1-17(2)13-7-4-11(5-8-13)12-6-9-14(16)15(10-12)18-3/h6,9-11,13H,4-5,7-8,16H2,1-3H3
InChIKeyYBGLKHHFCMFLPN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.87
Rot. Bonds3

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

4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline (PubChem CID 135211692) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline.

Molecular Properties

Compound Name4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline
PubChem CID135211692
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline
SMILESCOc1cc(C2CCC(N(C)C)CC2)ccc1N
InChIInChI=1S/C15H24N2O/c1-17(2)13-7-4-11(5-8-13)12-6-9-14(16)15(10-12)18-3/h6,9-11,13H,4-5,7-8,16H2,1-3H3
InChIKeyYBGLKHHFCMFLPN-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

5-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline
CID 150653797
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 57416153
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
2-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline
CID 118464994
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene
CID 145237121
(3S)-1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 89285568
4-cyclopropyl-2-methoxy-1-methylbenzene;ethane
CID 168942546
2-methoxy-4-[4-[4-(2-methylsulfonylethyl)piperazin-1-yl]cyclohexyl]aniline
CID 59452816
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine
CID 161181204
methanol;2-methoxy-4-[4-(4-methylpiperazin-1-yl)cyclohexyl]aniline;1-[4-(3-methoxy-4-nitrophenyl)cyclohexyl]-4-methylpiperazine
CID 167675929
2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline
CID 129094124
2,6-dimethoxy-4-piperidin-4-ylaniline
CID 117345445

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline?
The IUPAC name of 4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline (CID 135211692) is 4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline.
What is the SMILES notation for 4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline?
The canonical SMILES for 4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline is COc1cc(C2CCC(N(C)C)CC2)ccc1N.
What is the InChIKey of 4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline?
The InChIKey is YBGLKHHFCMFLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(2)13-7-4-11(5-8-13)12-6-9-14(16)15(10-12)18-3/h6,9-11,13H,4-5,7-8,16H2,1-3H3.
What are the key properties of 4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline?
4-[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 4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline is sourced from PubChem (CID 135211692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).