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

C17H29NO3 — CID 43589090

IUPAC2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine
SMILESCCCNC(c1ccc(OC)c(OC)c1OC)C(C)CC
InChIInChI=1S/C17H29NO3/c1-7-11-18-15(12(3)8-2)13-9-10-14(19-4)17(21-6)16(13)20-5/h9-10,12,15,18H,7-8,11H2,1-6H3
InChIKeyYVHGIQWMBRVOSQ-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.80
Rot. Bonds9

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

2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine (PubChem CID 43589090) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine
PubChem CID43589090
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine
SMILESCCCNC(c1ccc(OC)c(OC)c1OC)C(C)CC
InChIInChI=1S/C17H29NO3/c1-7-11-18-15(12(3)8-2)13-9-10-14(19-4)17(21-6)16(13)20-5/h9-10,12,15,18H,7-8,11H2,1-6H3
InChIKeyYVHGIQWMBRVOSQ-UHFFFAOYSA-N
XLogP3.80
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 43589022
N-[2,2,2-trifluoro-1-(2,3,4-trimethoxyphenyl)ethyl]propan-1-amine
CID 43589079
1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
CID 103435219
1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine
CID 43480864
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 114978465
1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114939357
1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 43494411
N-[2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103517310
1-(4-bromo-3-methylbutan-2-yl)-2,3,4-trimethoxybenzene
CID 83934039
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43562163
3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463338

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine?
The IUPAC name of 2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine (CID 43589090) is 2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine is CCCNC(c1ccc(OC)c(OC)c1OC)C(C)CC.
What is the InChIKey of 2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine?
The InChIKey is YVHGIQWMBRVOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-7-11-18-15(12(3)8-2)13-9-10-14(19-4)17(21-6)16(13)20-5/h9-10,12,15,18H,7-8,11H2,1-6H3.
What are the key properties of 2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine?
2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.80, 9 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-(2,3,4-trimethoxyphenyl)butan-1-amine is sourced from PubChem (CID 43589090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).