[3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol

C17H25NO2 — CID 64624867

IUPAC[3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol
SMILESCOc1ccc(NC2(CO)CCCC(C3CC3)C2)cc1
InChIInChI=1S/C17H25NO2/c1-20-16-8-6-15(7-9-16)18-17(12-19)10-2-3-14(11-17)13-4-5-13/h6-9,13-14,18-19H,2-5,10-12H2,1H3
InChIKeyKJPGBQATQASZPA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.44
Rot. Bonds5

About [3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol

[3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol (PubChem CID 64624867) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol
PubChem CID64624867
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol
SMILESCOc1ccc(NC2(CO)CCCC(C3CC3)C2)cc1
InChIInChI=1S/C17H25NO2/c1-20-16-8-6-15(7-9-16)18-17(12-19)10-2-3-14(11-17)13-4-5-13/h6-9,13-14,18-19H,2-5,10-12H2,1H3
InChIKeyKJPGBQATQASZPA-UHFFFAOYSA-N
XLogP3.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-1-(4-methoxyanilino)cyclohexane-1-carbonitrile
CID 64624840
[4-(4-methoxyanilino)oxepan-4-yl]methanol
CID 65080606
[1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol
CID 106874202
[3-cyclopropyl-1-(methylamino)cyclohexyl]methanol
CID 64623011
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-4-methoxyaniline
CID 107449144
1-(aminomethyl)-N-(4-methoxyphenyl)cyclooctan-1-amine
CID 65383457
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide
CID 62527012
[1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol
CID 107430208
[1-(3-amino-5-methoxyanilino)cyclohexyl]methanol
CID 80739666
1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65385792
3-cyclopropyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid
CID 64624031
[1-[(6-methoxy-2-pyridinyl)amino]-3-methylcyclohexyl]methanol
CID 63589171

Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol?
The IUPAC name of [3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol (CID 64624867) is [3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol.
What is the SMILES notation for [3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol?
The canonical SMILES for [3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol is COc1ccc(NC2(CO)CCCC(C3CC3)C2)cc1.
What is the InChIKey of [3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol?
The InChIKey is KJPGBQATQASZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-20-16-8-6-15(7-9-16)18-17(12-19)10-2-3-14(11-17)13-4-5-13/h6-9,13-14,18-19H,2-5,10-12H2,1H3.
What are the key properties of [3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol?
[3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol has a molecular weight of 275.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol is sourced from PubChem (CID 64624867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).