3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine

C15H23NO4 — CID 104588014

IUPAC3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(CNC2CC(OC)C2)c(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-17-12-7-11(8-12)16-9-10-5-6-13(18-2)15(20-4)14(10)19-3/h5-6,11-12,16H,7-9H2,1-4H3
InChIKeyZQRMPTOBQLGPIF-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.98
Rot. Bonds7

About 3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine

3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine (PubChem CID 104588014) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine
PubChem CID104588014
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(CNC2CC(OC)C2)c(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-17-12-7-11(8-12)16-9-10-5-6-13(18-2)15(20-4)14(10)19-3/h5-6,11-12,16H,7-9H2,1-4H3
InChIKeyZQRMPTOBQLGPIF-UHFFFAOYSA-N
XLogP1.98
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081816
N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671454
2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol
CID 115977495
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
CID 104588033
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclooctanamine
CID 63626731
N-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104588029
N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104587914
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 43400170
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701328

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine (CID 104588014) is 3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine is COc1ccc(CNC2CC(OC)C2)c(OC)c1OC.
What is the InChIKey of 3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine?
The InChIKey is ZQRMPTOBQLGPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-17-12-7-11(8-12)16-9-10-5-6-13(18-2)15(20-4)14(10)19-3/h5-6,11-12,16H,7-9H2,1-4H3.
What are the key properties of 3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine?
3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine has a molecular weight of 281.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 104588014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).