[1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol

C14H21NO3 — CID 116943251

IUPAC[1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol
SMILESCOc1cc(C)c(C(N)C2(CO)CC2)cc1OC
InChIInChI=1S/C14H21NO3/c1-9-6-11(17-2)12(18-3)7-10(9)13(15)14(8-16)4-5-14/h6-7,13,16H,4-5,8,15H2,1-3H3
InChIKeyDZBXZQFKSDWBSG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.78
Rot. Bonds5

About [1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol

[1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol (PubChem CID 116943251) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol
PubChem CID116943251
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol
SMILESCOc1cc(C)c(C(N)C2(CO)CC2)cc1OC
InChIInChI=1S/C14H21NO3/c1-9-6-11(17-2)12(18-3)7-10(9)13(15)14(8-16)4-5-14/h6-7,13,16H,4-5,8,15H2,1-3H3
InChIKeyDZBXZQFKSDWBSG-UHFFFAOYSA-N
XLogP1.78
TPSA64.71 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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944822
[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116943373
(5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943544
[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol
CID 116944173
[3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116944935
[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
[1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol
CID 116944258
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(1-methylcyclopropyl)methanamine
CID 82296040
2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol
CID 105424343
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772

Frequently Asked Questions

What is the IUPAC name of [1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol (CID 116943251) is [1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol is COc1cc(C)c(C(N)C2(CO)CC2)cc1OC.
What is the InChIKey of [1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol?
The InChIKey is DZBXZQFKSDWBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-6-11(17-2)12(18-3)7-10(9)13(15)14(8-16)4-5-14/h6-7,13,16H,4-5,8,15H2,1-3H3.
What are the key properties of [1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol?
[1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116943251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).