1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine

C15H23NO3 — CID 43298524

IUPAC1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCC1CCC1
InChIInChI=1S/C15H23NO3/c1-17-13-8-15(19-3)14(18-2)7-12(13)10-16-9-11-5-4-6-11/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyDNTBPZHRNGIKDL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.60
Rot. Bonds7

About 1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine

1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (PubChem CID 43298524) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
PubChem CID43298524
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCC1CCC1
InChIInChI=1S/C15H23NO3/c1-17-13-8-15(19-3)14(18-2)7-12(13)10-16-9-11-5-4-6-11/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyDNTBPZHRNGIKDL-UHFFFAOYSA-N
XLogP2.60
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43317257
N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine
CID 83228531
N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 119127207
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621533
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699903
4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639
1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
CID 43371036
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide
CID 75531363
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (CID 43298524) is 1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is COc1cc(OC)c(OC)cc1CNCC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The InChIKey is DNTBPZHRNGIKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-13-8-15(19-3)14(18-2)7-12(13)10-16-9-11-5-4-6-11/h7-8,11,16H,4-6,9-10H2,1-3H3.
What are the key properties of 1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine has a molecular weight of 265.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 43298524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).