2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol

C14H21NO3 — CID 62392316

IUPAC2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol
SMILESCOc1cccc(NC(CO)C2CCOCC2)c1
InChIInChI=1S/C14H21NO3/c1-17-13-4-2-3-12(9-13)15-14(10-16)11-5-7-18-8-6-11/h2-4,9,11,14-16H,5-8,10H2,1H3
InChIKeyIODLVQVWXSJUKU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.89
Rot. Bonds5

About 2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol

2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol (PubChem CID 62392316) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol
PubChem CID62392316
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol
SMILESCOc1cccc(NC(CO)C2CCOCC2)c1
InChIInChI=1S/C14H21NO3/c1-17-13-4-2-3-12(9-13)15-14(10-16)11-5-7-18-8-6-11/h2-4,9,11,14-16H,5-8,10H2,1H3
InChIKeyIODLVQVWXSJUKU-UHFFFAOYSA-N
XLogP1.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyanilino)-2-(oxolan-3-yl)acetic acid
CID 54890217
2-(3-methylanilino)-2-(oxolan-3-yl)ethanol
CID 61047784
2-(3-methoxyanilino)pentan-1-ol
CID 61050273
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364
N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 65378828
2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783733
2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile
CID 63739529
3-ethyl-2-(3-methoxyanilino)pentan-1-ol
CID 61318317
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline
CID 43765565
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793315

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol?
The IUPAC name of 2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol (CID 62392316) is 2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol is COc1cccc(NC(CO)C2CCOCC2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol?
The InChIKey is IODLVQVWXSJUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-13-4-2-3-12(9-13)15-14(10-16)11-5-7-18-8-6-11/h2-4,9,11,14-16H,5-8,10H2,1H3.
What are the key properties of 2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol?
2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 62392316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).