1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine

C14H21NO3 — CID 117381745

IUPAC1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
SMILESCOCc1cc(CC2(N)CC2)c(OC)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-16-9-10-6-11(8-14(15)4-5-14)13(18-3)12(7-10)17-2/h6-7H,4-5,8-9,15H2,1-3H3
InChIKeyIZFMZQNHPYOBMV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.88
Rot. Bonds6

About 1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine

1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117381745) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117381745
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
SMILESCOCc1cc(CC2(N)CC2)c(OC)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-16-9-10-6-11(8-14(15)4-5-14)13(18-3)12(7-10)17-2/h6-7H,4-5,8-9,15H2,1-3H3
InChIKeyIZFMZQNHPYOBMV-UHFFFAOYSA-N
XLogP1.88
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117376984
1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117483540
5-[(1-aminocyclopropyl)methyl]-2,3-dimethoxybenzaldehyde
CID 117342405
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386556
1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117333685
1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117316180
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117448266
1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117455653
1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117364434

Frequently Asked Questions

What is the IUPAC name of 1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine (CID 117381745) is 1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine is COCc1cc(CC2(N)CC2)c(OC)c(OC)c1.
What is the InChIKey of 1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is IZFMZQNHPYOBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-9-10-6-11(8-14(15)4-5-14)13(18-3)12(7-10)17-2/h6-7H,4-5,8-9,15H2,1-3H3.
What are the key properties of 1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine?
1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117381745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).