[1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol

C14H19NO3 — CID 115243248

IUPAC[1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol
SMILESCc1cc2c(cc1NCC1(CO)CC1)OCCO2
InChIInChI=1S/C14H19NO3/c1-10-6-12-13(18-5-4-17-12)7-11(10)15-8-14(9-16)2-3-14/h6-7,15-16H,2-5,8-9H2,1H3
InChIKeyPSDHEVGEJFWDNU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds4

About [1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol

[1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol (PubChem CID 115243248) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol
PubChem CID115243248
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol
SMILESCc1cc2c(cc1NCC1(CO)CC1)OCCO2
InChIInChI=1S/C14H19NO3/c1-10-6-12-13(18-5-4-17-12)7-11(10)15-8-14(9-16)2-3-14/h6-7,15-16H,2-5,8-9H2,1H3
InChIKeyPSDHEVGEJFWDNU-UHFFFAOYSA-N
XLogP1.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115244526
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol
CID 82492557
4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
CID 115217387
[3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248804
2-methyl-1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]propan-2-ol
CID 115136774
3-methyl-2-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]butan-1-ol
CID 115251861
4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butanoic acid
CID 115218455
[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243291
[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
2-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115222020
methyl 1-[[(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]cyclopropane-1-carboxylate
CID 115247460
[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol
CID 115555162

Frequently Asked Questions

What is the IUPAC name of [1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol (CID 115243248) is [1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol is Cc1cc2c(cc1NCC1(CO)CC1)OCCO2.
What is the InChIKey of [1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol?
The InChIKey is PSDHEVGEJFWDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-6-12-13(18-5-4-17-12)7-11(10)15-8-14(9-16)2-3-14/h6-7,15-16H,2-5,8-9H2,1H3.
What are the key properties of [1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol?
[1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol has a molecular weight of 249.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).