2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine

C17H27NO3 — CID 79351463

IUPAC2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(OC)c(CNC2C(C)(C)C2(C)C)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-16(2)15(17(16,3)4)18-10-12-13(20-6)8-11(19-5)9-14(12)21-7/h8-9,15,18H,10H2,1-7H3
InChIKeyVMQLCCBECJSCGT-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.24
Rot. Bonds6

About 2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine

2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 79351463) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID79351463
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(OC)c(CNC2C(C)(C)C2(C)C)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-16(2)15(17(16,3)4)18-10-12-13(20-6)8-11(19-5)9-14(12)21-7/h8-9,15,18H,10H2,1-7H3
InChIKeyVMQLCCBECJSCGT-UHFFFAOYSA-N
XLogP3.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine 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

2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol
CID 115976609
N-[(2,4,6-trimethoxyphenyl)methyl]thian-4-amine
CID 115584471
[(2,4,6-trimethoxyphenyl)methylamino]methanethiol
CID 115227955
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357920
N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 115195875
5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine
CID 86054296
2-(iodomethyl)-1,3,5-trimethoxybenzene
CID 10946751
1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 47330110
1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 115207558
2-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]aniline
CID 43344247
2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 115592760

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine (CID 79351463) is 2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine is COc1cc(OC)c(CNC2C(C)(C)C2(C)C)c(OC)c1.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is VMQLCCBECJSCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-16(2)15(17(16,3)4)18-10-12-13(20-6)8-11(19-5)9-14(12)21-7/h8-9,15,18H,10H2,1-7H3.
What are the key properties of 2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine?
2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 79351463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).