[1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol

C16H25NO — CID 115243332

IUPAC[1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol
SMILESCCC(C)c1ccc(N(C)CC2(CO)CC2)cc1
InChIInChI=1S/C16H25NO/c1-4-13(2)14-5-7-15(8-6-14)17(3)11-16(12-18)9-10-16/h5-8,13,18H,4,9-12H2,1-3H3
InChIKeyLNDCCFDCABCUHG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.41
Rot. Bonds6

About [1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol

[1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol (PubChem CID 115243332) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol
PubChem CID115243332
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol
SMILESCCC(C)c1ccc(N(C)CC2(CO)CC2)cc1
InChIInChI=1S/C16H25NO/c1-4-13(2)14-5-7-15(8-6-14)17(3)11-16(12-18)9-10-16/h5-8,13,18H,4,9-12H2,1-3H3
InChIKeyLNDCCFDCABCUHG-UHFFFAOYSA-N
XLogP3.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243346
3-(4-butan-2-yl-N-methylanilino)propan-1-ol
CID 115216712
[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol
CID 115246801
[1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol
CID 115243384
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876
N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138838
2-[(4-butan-2-yl-N-methylanilino)methyl]butanenitrile
CID 115253627
N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane
CID 143909835
[1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol
CID 116842627
[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol
CID 115246834
1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 115256771
[(4-butan-2-ylphenyl)methyl-methylamino]methanol
CID 115229112

Frequently Asked Questions

What is the IUPAC name of [1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol (CID 115243332) is [1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol is CCC(C)c1ccc(N(C)CC2(CO)CC2)cc1.
What is the InChIKey of [1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol?
The InChIKey is LNDCCFDCABCUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-13(2)14-5-7-15(8-6-14)17(3)11-16(12-18)9-10-16/h5-8,13,18H,4,9-12H2,1-3H3.
What are the key properties of [1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol?
[1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).