[1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol

C15H24N2O2 — CID 103965437

IUPAC[1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol
SMILESCOc1ccc(N)c(NCC2(CO)CCCCC2)c1
InChIInChI=1S/C15H24N2O2/c1-19-12-5-6-13(16)14(9-12)17-10-15(11-18)7-3-2-4-8-15/h5-6,9,17-18H,2-4,7-8,10-11,16H2,1H3
InChIKeyUOZMZLKVKCAWJZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.63
Rot. Bonds5

About [1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol

[1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol (PubChem CID 103965437) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol
PubChem CID103965437
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol
SMILESCOc1ccc(N)c(NCC2(CO)CCCCC2)c1
InChIInChI=1S/C15H24N2O2/c1-19-12-5-6-13(16)14(9-12)17-10-15(11-18)7-3-2-4-8-15/h5-6,9,17-18H,2-4,7-8,10-11,16H2,1H3
InChIKeyUOZMZLKVKCAWJZ-UHFFFAOYSA-N
XLogP2.63
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid
CID 88995988
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-methoxybenzoic acid
CID 103968378
[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol
CID 115358053
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765
[1-[(4-methoxy-2-nitroanilino)methyl]cyclopentyl]methanol
CID 115360765
[1-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 103965461
[1-[(2-amino-5-bromo-4-fluoroanilino)methyl]cyclohexyl]methanol
CID 116736218
[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
CID 115683825
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
2-(2-amino-5-methoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845814
[1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol
CID 82857380

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol (CID 103965437) is [1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol is COc1ccc(N)c(NCC2(CO)CCCCC2)c1.
What is the InChIKey of [1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol?
The InChIKey is UOZMZLKVKCAWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-19-12-5-6-13(16)14(9-12)17-10-15(11-18)7-3-2-4-8-15/h5-6,9,17-18H,2-4,7-8,10-11,16H2,1H3.
What are the key properties of [1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol?
[1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol has a molecular weight of 264.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 103965437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).