[1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol

C14H21NO2 — CID 115243235

IUPAC[1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol
SMILESCOc1c(C)cc(C)cc1NCC1(CO)CC1
InChIInChI=1S/C14H21NO2/c1-10-6-11(2)13(17-3)12(7-10)15-8-14(9-16)4-5-14/h6-7,15-16H,4-5,8-9H2,1-3H3
InChIKeyHLABKIRBZZLXIP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.50
Rot. Bonds5

About [1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol

[1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol (PubChem CID 115243235) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol
PubChem CID115243235
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol
SMILESCOc1c(C)cc(C)cc1NCC1(CO)CC1
InChIInChI=1S/C14H21NO2/c1-10-6-11(2)13(17-3)12(7-10)15-8-14(9-16)4-5-14/h6-7,15-16H,4-5,8-9H2,1-3H3
InChIKeyHLABKIRBZZLXIP-UHFFFAOYSA-N
XLogP2.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-3,5-dimethylanilino)ethanol
CID 82491310
[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248783
[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
methyl 2-(2-methoxy-3,5-dimethylanilino)acetate
CID 115232671
N-(hydrazinylmethyl)-2-methoxy-3,5-dimethylaniline
CID 115260467
[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243291
[1-[[(5-methoxy-2-methyl-4-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 106660625
[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol
CID 116928935
[1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol
CID 115243248
[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol
CID 115246686
[1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol
CID 107259483
[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248903

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol (CID 115243235) is [1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol is COc1c(C)cc(C)cc1NCC1(CO)CC1.
What is the InChIKey of [1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol?
The InChIKey is HLABKIRBZZLXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-6-11(2)13(17-3)12(7-10)15-8-14(9-16)4-5-14/h6-7,15-16H,4-5,8-9H2,1-3H3.
What are the key properties of [1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol?
[1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).