2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine

C16H27NO3 — CID 114978465

IUPAC2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine
SMILESCCCNC(c1cc(OC)c(OC)c(OC)c1)C(C)C
InChIInChI=1S/C16H27NO3/c1-7-8-17-15(11(2)3)12-9-13(18-4)16(20-6)14(10-12)19-5/h9-11,15,17H,7-8H2,1-6H3
InChIKeyCPFZNNIUSIPOPL-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.41
Rot. Bonds8

About 2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine

2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine (PubChem CID 114978465) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine
PubChem CID114978465
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine
SMILESCCCNC(c1cc(OC)c(OC)c(OC)c1)C(C)C
InChIInChI=1S/C16H27NO3/c1-7-8-17-15(11(2)3)12-9-13(18-4)16(20-6)14(10-12)19-5/h9-11,15,17H,7-8H2,1-6H3
InChIKeyCPFZNNIUSIPOPL-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,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine
CID 105013814
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-1-amine
CID 43363394
1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114978904
1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 43496074
2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine
CID 43589090
N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82710078
2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 64568461
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine
CID 43173534
1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 54880458
3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline
CID 43758510
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
2-methyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 60819374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine?
The IUPAC name of 2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine (CID 114978465) is 2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine is CCCNC(c1cc(OC)c(OC)c(OC)c1)C(C)C.
What is the InChIKey of 2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine?
The InChIKey is CPFZNNIUSIPOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-7-8-17-15(11(2)3)12-9-13(18-4)16(20-6)14(10-12)19-5/h9-11,15,17H,7-8H2,1-6H3.
What are the key properties of 2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine?
2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-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 2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 114978465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).