2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol

C14H21NO2 — CID 64919153

IUPAC2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol
SMILESCCC(CO)(Nc1ccccc1OC)C1CC1
InChIInChI=1S/C14H21NO2/c1-3-14(10-16,11-8-9-11)15-12-6-4-5-7-13(12)17-2/h4-7,11,15-16H,3,8-10H2,1-2H3
InChIKeyBVINMNKDXBDLMF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.66
Rot. Bonds6

About 2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol

2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol (PubChem CID 64919153) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol
PubChem CID64919153
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol
SMILESCCC(CO)(Nc1ccccc1OC)C1CC1
InChIInChI=1S/C14H21NO2/c1-3-14(10-16,11-8-9-11)15-12-6-4-5-7-13(12)17-2/h4-7,11,15-16H,3,8-10H2,1-2H3
InChIKeyBVINMNKDXBDLMF-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(2-methoxyanilino)butan-1-ol
CID 61049290
2-cyclopropyl-2-(ethylamino)-3-(2-methoxy-N-methylanilino)propan-1-ol
CID 64791730
2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol
CID 64789926
methyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890267
2-ethyl-2-[(2-methoxyanilino)methyl]butan-1-ol
CID 81410769
2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol
CID 62488457
4-methoxy-2-(2-methoxyanilino)-2,4-dimethylpentan-1-ol
CID 61050474
2-(2-methoxyanilino)-2-methylnonan-1-ol
CID 61050086
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
2-(2-methoxyanilino)-3-methyl-2-phenylbutan-1-ol
CID 61048291
2-(5-fluoro-2-pyridinyl)-2-(2-methoxyanilino)butan-1-ol
CID 115940889
2-ethyl-2-(2-methoxyanilino)pentanoic acid
CID 114079646

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol (CID 64919153) is 2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol is CCC(CO)(Nc1ccccc1OC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol?
The InChIKey is BVINMNKDXBDLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-14(10-16,11-8-9-11)15-12-6-4-5-7-13(12)17-2/h4-7,11,15-16H,3,8-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol?
2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol is sourced from PubChem (CID 64919153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).