1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine

C14H21NO3 — CID 43483009

IUPAC1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine
SMILESCNC(c1c(OC)cc(OC)cc1OC)C1CC1
InChIInChI=1S/C14H21NO3/c1-15-14(9-5-6-9)13-11(17-3)7-10(16-2)8-12(13)18-4/h7-9,14-15H,5-6H2,1-4H3
InChIKeyBGTGCLGQHPHHCF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds6

About 1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine

1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine (PubChem CID 43483009) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine
PubChem CID43483009
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine
SMILESCNC(c1c(OC)cc(OC)cc1OC)C1CC1
InChIInChI=1S/C14H21NO3/c1-15-14(9-5-6-9)13-11(17-3)7-10(16-2)8-12(13)18-4/h7-9,14-15H,5-6H2,1-4H3
InChIKeyBGTGCLGQHPHHCF-UHFFFAOYSA-N
XLogP2.38
TPSA39.72 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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106680447
2-[chloro(cyclopropyl)methyl]-1,3,5-trimethoxybenzene
CID 61086161
1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 54880539
1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 65018264
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine
CID 83154373
methylamino-(2,4,6-trimethoxyphenyl)methanethiol
CID 116954536
1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116961980
1-cyclopropyl-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 104994165
N-[(2-methylcyclopropyl)-(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 43490270
1-cyclopropyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589051
4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine
CID 116952347

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine (CID 43483009) is 1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine is CNC(c1c(OC)cc(OC)cc1OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine?
The InChIKey is BGTGCLGQHPHHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15-14(9-5-6-9)13-11(17-3)7-10(16-2)8-12(13)18-4/h7-9,14-15H,5-6H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine?
1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine is sourced from PubChem (CID 43483009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).