[1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol

C17H27NO2 — CID 62704863

IUPAC[1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol
SMILESCOc1ccccc1NC1(CO)CCC(C(C)C)CC1
InChIInChI=1S/C17H27NO2/c1-13(2)14-8-10-17(12-19,11-9-14)18-15-6-4-5-7-16(15)20-3/h4-7,13-14,18-19H,8-12H2,1-3H3
InChIKeyVLDKRPUZHRHCLP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.68
Rot. Bonds5

About [1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol

[1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol (PubChem CID 62704863) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol
PubChem CID62704863
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol
SMILESCOc1ccccc1NC1(CO)CCC(C(C)C)CC1
InChIInChI=1S/C17H27NO2/c1-13(2)14-8-10-17(12-19,11-9-14)18-15-6-4-5-7-16(15)20-3/h4-7,13-14,18-19H,8-12H2,1-3H3
InChIKeyVLDKRPUZHRHCLP-UHFFFAOYSA-N
XLogP3.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754690
[1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol
CID 62975143
(1-anilino-4-propan-2-ylcycloheptyl)methanol
CID 65090420
[3-(2-methoxyanilino)-1,1-dioxothiolan-3-yl]methanol
CID 63166531
1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449310
[1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol
CID 62704125
[1-(2-amino-3-methoxyanilino)cyclohexyl]methanol
CID 113392651
[1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol
CID 103564791
N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline
CID 65383362
[1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol
CID 107450317
N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline
CID 65379712
1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid
CID 60994309

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol?
The IUPAC name of [1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol (CID 62704863) is [1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol.
What is the SMILES notation for [1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol?
The canonical SMILES for [1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol is COc1ccccc1NC1(CO)CCC(C(C)C)CC1.
What is the InChIKey of [1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol?
The InChIKey is VLDKRPUZHRHCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)14-8-10-17(12-19,11-9-14)18-15-6-4-5-7-16(15)20-3/h4-7,13-14,18-19H,8-12H2,1-3H3.
What are the key properties of [1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol?
[1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol is sourced from PubChem (CID 62704863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).