[1-(2-amino-3-methoxyanilino)cyclohexyl]methanol

C14H22N2O2 — CID 113392651

IUPAC[1-(2-amino-3-methoxyanilino)cyclohexyl]methanol
SMILESCOc1cccc(NC2(CO)CCCCC2)c1N
InChIInChI=1S/C14H22N2O2/c1-18-12-7-5-6-11(13(12)15)16-14(10-17)8-3-2-4-9-14/h5-7,16-17H,2-4,8-10,15H2,1H3
InChIKeyQIBRJGMYEPZINS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.38
Rot. Bonds4

About [1-(2-amino-3-methoxyanilino)cyclohexyl]methanol

[1-(2-amino-3-methoxyanilino)cyclohexyl]methanol (PubChem CID 113392651) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [1-(2-amino-3-methoxyanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-amino-3-methoxyanilino)cyclohexyl]methanol
PubChem CID113392651
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[1-(2-amino-3-methoxyanilino)cyclohexyl]methanol
SMILESCOc1cccc(NC2(CO)CCCCC2)c1N
InChIInChI=1S/C14H22N2O2/c1-18-12-7-5-6-11(13(12)15)16-14(10-17)8-3-2-4-9-14/h5-7,16-17H,2-4,8-10,15H2,1H3
InChIKeyQIBRJGMYEPZINS-UHFFFAOYSA-N
XLogP2.38
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.38
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-(3-amino-2-methylanilino)cyclopentyl]methanol
CID 63062925
3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine
CID 106217345
[1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol
CID 62704863
[1-(3-amino-5-methoxyanilino)cyclohexyl]methanol
CID 80739666
[3-(2-methoxyanilino)-1,1-dioxothiolan-3-yl]methanol
CID 63166531
[1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754690
[1-(3-amino-2-nitroanilino)cyclopentyl]methanol
CID 80833202
1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol
CID 117104185
N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 76945995
[2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol
CID 113392730
N-[1-(hydroxymethyl)cyclobutyl]-2-(2-methoxyphenoxy)acetamide
CID 115878022
[1-(2-amino-5-chloroanilino)cyclohexyl]methanol
CID 115468903

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-3-methoxyanilino)cyclohexyl]methanol?
The IUPAC name of [1-(2-amino-3-methoxyanilino)cyclohexyl]methanol (CID 113392651) is [1-(2-amino-3-methoxyanilino)cyclohexyl]methanol.
What is the SMILES notation for [1-(2-amino-3-methoxyanilino)cyclohexyl]methanol?
The canonical SMILES for [1-(2-amino-3-methoxyanilino)cyclohexyl]methanol is COc1cccc(NC2(CO)CCCCC2)c1N.
What is the InChIKey of [1-(2-amino-3-methoxyanilino)cyclohexyl]methanol?
The InChIKey is QIBRJGMYEPZINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-12-7-5-6-11(13(12)15)16-14(10-17)8-3-2-4-9-14/h5-7,16-17H,2-4,8-10,15H2,1H3.
What are the key properties of [1-(2-amino-3-methoxyanilino)cyclohexyl]methanol?
[1-(2-amino-3-methoxyanilino)cyclohexyl]methanol has a molecular weight of 250.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-3-methoxyanilino)cyclohexyl]methanol is sourced from PubChem (CID 113392651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).