3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol

C15H24N2O3 — CID 106120053

IUPAC3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol
SMILESCOc1cc(N)c(NCC2CCCC(O)C2)cc1OC
InChIInChI=1S/C15H24N2O3/c1-19-14-7-12(16)13(8-15(14)20-2)17-9-10-4-3-5-11(18)6-10/h7-8,10-11,17-18H,3-6,9,16H2,1-2H3
InChIKeyUKPFCIMGGFHOTH-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.25
Rot. Bonds5

About 3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol

3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol (PubChem CID 106120053) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol
PubChem CID106120053
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol
SMILESCOc1cc(N)c(NCC2CCCC(O)C2)cc1OC
InChIInChI=1S/C15H24N2O3/c1-19-14-7-12(16)13(8-15(14)20-2)17-9-10-4-3-5-11(18)6-10/h7-8,10-11,17-18H,3-6,9,16H2,1-2H3
InChIKeyUKPFCIMGGFHOTH-UHFFFAOYSA-N
XLogP2.25
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(cyclobutylmethyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001680
4-[(2-amino-4-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120140
3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol
CID 106119533
3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide
CID 106119994
2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine
CID 106007224
3-[(4,5-dimethoxy-2-nitroanilino)methyl]cyclopentan-1-ol
CID 103269730
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 104917710
4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120262
3-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138779
3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol
CID 106119943
3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol
CID 106119622
1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone
CID 106119986

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol (CID 106120053) is 3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol is COc1cc(N)c(NCC2CCCC(O)C2)cc1OC.
What is the InChIKey of 3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol?
The InChIKey is UKPFCIMGGFHOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-19-14-7-12(16)13(8-15(14)20-2)17-9-10-4-3-5-11(18)6-10/h7-8,10-11,17-18H,3-6,9,16H2,1-2H3.
What are the key properties of 3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol?
3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106120053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).