2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol

C14H22N2O2 — CID 102631429

IUPAC2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol
SMILESCOc1cc(N(C)C2CCCCC2O)ccc1N
InChIInChI=1S/C14H22N2O2/c1-16(12-5-3-4-6-13(12)17)10-7-8-11(15)14(9-10)18-2/h7-9,12-13,17H,3-6,15H2,1-2H3
InChIKeyUIXCBSZYRCUEJI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.02
Rot. Bonds3

About 2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol

2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol (PubChem CID 102631429) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol
PubChem CID102631429
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol
SMILESCOc1cc(N(C)C2CCCCC2O)ccc1N
InChIInChI=1S/C14H22N2O2/c1-16(12-5-3-4-6-13(12)17)10-7-8-11(15)14(9-10)18-2/h7-9,12-13,17H,3-6,15H2,1-2H3
InChIKeyUIXCBSZYRCUEJI-UHFFFAOYSA-N
XLogP2.02
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol
CID 102632563
2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117860
4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
CID 62983263
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002795
2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 63672016
1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene
CID 175558258
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117888
2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol
CID 64928032
2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589686
4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline
CID 89065676

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol?
The IUPAC name of 2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol (CID 102631429) is 2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol.
What is the SMILES notation for 2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol?
The canonical SMILES for 2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol is COc1cc(N(C)C2CCCCC2O)ccc1N.
What is the InChIKey of 2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol?
The InChIKey is UIXCBSZYRCUEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(12-5-3-4-6-13(12)17)10-7-8-11(15)14(9-10)18-2/h7-9,12-13,17H,3-6,15H2,1-2H3.
What are the key properties of 2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol?
2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol is sourced from PubChem (CID 102631429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).