3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine

C16H27NO3 — CID 61463232

IUPAC3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine
SMILESCCC(C)C(C)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H27NO3/c1-7-11(2)12(3)17-10-14-15(19-5)8-13(18-4)9-16(14)20-6/h8-9,11-12,17H,7,10H2,1-6H3
InChIKeyBQHWQZQGHBRWLT-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.24
Rot. Bonds8

About 3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine

3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine (PubChem CID 61463232) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine
PubChem CID61463232
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine
SMILESCCC(C)C(C)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H27NO3/c1-7-11(2)12(3)17-10-14-15(19-5)8-13(18-4)9-16(14)20-6/h8-9,11-12,17H,7,10H2,1-6H3
InChIKeyBQHWQZQGHBRWLT-UHFFFAOYSA-N
XLogP3.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 61498510
N-[(2-bromo-4,6-dimethoxyphenyl)methyl]propan-2-amine
CID 115735467
N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine
CID 115633047
N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide
CID 43399013
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
CID 43490262
1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 62841838
1-butan-2-yl-2-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine
CID 110945852
[(2,4,6-trimethoxyphenyl)methylamino]methanethiol
CID 115227955
N-[(2,6-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 145435829
2-[(2,4-dimethoxy-6-methylphenyl)methylamino]propanenitrile
CID 115130211
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463346

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine?
The IUPAC name of 3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine (CID 61463232) is 3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine.
What is the SMILES notation for 3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine?
The canonical SMILES for 3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine is CCC(C)C(C)NCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine?
The InChIKey is BQHWQZQGHBRWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-7-11(2)12(3)17-10-14-15(19-5)8-13(18-4)9-16(14)20-6/h8-9,11-12,17H,7,10H2,1-6H3.
What are the key properties of 3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine?
3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine is sourced from PubChem (CID 61463232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).