[1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol

C15H23NO3 — CID 116912133

IUPAC[1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol
SMILESCOc1ccc(OC)c(C(N(C)C)C2(CO)CC2)c1
InChIInChI=1S/C15H23NO3/c1-16(2)14(15(10-17)7-8-15)12-9-11(18-3)5-6-13(12)19-4/h5-6,9,14,17H,7-8,10H2,1-4H3
InChIKeyVLKLIQMVOOEEMC-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.08
Rot. Bonds6

About [1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol

[1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol (PubChem CID 116912133) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol
PubChem CID116912133
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol
SMILESCOc1ccc(OC)c(C(N(C)C)C2(CO)CC2)c1
InChIInChI=1S/C15H23NO3/c1-16(2)14(15(10-17)7-8-15)12-9-11(18-3)5-6-13(12)19-4/h5-6,9,14,17H,7-8,10H2,1-4H3
InChIKeyVLKLIQMVOOEEMC-UHFFFAOYSA-N
XLogP2.08
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 116912259
[3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116912962
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229
(2,5-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanol
CID 79067398
1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 116912282
1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448378
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
2-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanethiol
CID 116908765
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905986
[1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol
CID 116912161

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol (CID 116912133) is [1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol is COc1ccc(OC)c(C(N(C)C)C2(CO)CC2)c1.
What is the InChIKey of [1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol?
The InChIKey is VLKLIQMVOOEEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-16(2)14(15(10-17)7-8-15)12-9-11(18-3)5-6-13(12)19-4/h5-6,9,14,17H,7-8,10H2,1-4H3.
What are the key properties of [1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol?
[1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol has a molecular weight of 265.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116912133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).