N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine

C11H17NO3 — CID 521855

IUPACN-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCNCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C11H17NO3/c1-12-7-8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6,12H,7H2,1-4H3
InChIKeyLFULMNRPABTDDQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.43
Rot. Bonds5

About N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine

N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 521855) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID521855
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCNCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C11H17NO3/c1-12-7-8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6,12H,7H2,1-4H3
InChIKeyLFULMNRPABTDDQ-UHFFFAOYSA-N
XLogP1.43
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54936066
N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine
CID 82714412
methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60889256
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 62104186
1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 65176513
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 61342425
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62326748
4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 61273980
1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 79167417
2-(3,4,5-trimethoxyphenyl)ethylazanium
CID 6918993

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine (CID 521855) is N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine is CNCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is LFULMNRPABTDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12-7-8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6,12H,7H2,1-4H3.
What are the key properties of N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 211.26 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 521855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).