N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine

C16H27NO3 — CID 43490262

IUPACN-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
SMILESCCNC(c1c(OC)cc(OC)cc1OC)C(C)CC
InChIInChI=1S/C16H27NO3/c1-7-11(3)16(17-8-2)15-13(19-5)9-12(18-4)10-14(15)20-6/h9-11,16-17H,7-8H2,1-6H3
InChIKeyMRPCFBIRMGPFJG-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.41
Rot. Bonds8

About N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine

N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine (PubChem CID 43490262) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
PubChem CID43490262
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
SMILESCCNC(c1c(OC)cc(OC)cc1OC)C(C)CC
InChIInChI=1S/C16H27NO3/c1-7-11(3)16(17-8-2)15-13(19-5)9-12(18-4)10-14(15)20-6/h9-11,16-17H,7-8H2,1-6H3
InChIKeyMRPCFBIRMGPFJG-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2,2-difluoro-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 80604341
(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201061
N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43490252
2-(1-bromopropyl)-1,3,5-trimethoxybenzene
CID 61098697
3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463232
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 43561454
N-[(2-methylcyclopropyl)-(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 43490270
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine
CID 114874234
2-(1-chloropropan-2-yl)-1,3,5-trimethoxybenzene
CID 168916552
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine (CID 43490262) is N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine is CCNC(c1c(OC)cc(OC)cc1OC)C(C)CC.
What is the InChIKey of N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine?
The InChIKey is MRPCFBIRMGPFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-7-11(3)16(17-8-2)15-13(19-5)9-12(18-4)10-14(15)20-6/h9-11,16-17H,7-8H2,1-6H3.
What are the key properties of N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine?
N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine is sourced from PubChem (CID 43490262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).