2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine

C17H29NO3 — CID 64568461

IUPAC2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
SMILESCOc1cc(C(C)NCC(C)C(C)C)cc(OC)c1OC
InChIInChI=1S/C17H29NO3/c1-11(2)12(3)10-18-13(4)14-8-15(19-5)17(21-7)16(9-14)20-6/h8-9,11-13,18H,10H2,1-7H3
InChIKeyUTCGMVWSSPSSHU-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.66
Rot. Bonds8

About 2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine

2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine (PubChem CID 64568461) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
PubChem CID64568461
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
SMILESCOc1cc(C(C)NCC(C)C(C)C)cc(OC)c1OC
InChIInChI=1S/C17H29NO3/c1-11(2)12(3)10-18-13(4)14-8-15(19-5)17(21-7)16(9-14)20-6/h8-9,11-13,18H,10H2,1-7H3
InChIKeyUTCGMVWSSPSSHU-UHFFFAOYSA-N
XLogP3.66
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-yn-1-amine
CID 43363384
1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol
CID 63295210
2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol
CID 63239416
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-1-amine
CID 43363394
(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180732
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 47616721
2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 103460607
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 119126875
N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82710078
N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82711410
2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 62773539

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine (CID 64568461) is 2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine is COc1cc(C(C)NCC(C)C(C)C)cc(OC)c1OC.
What is the InChIKey of 2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine?
The InChIKey is UTCGMVWSSPSSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-11(2)12(3)10-18-13(4)14-8-15(19-5)17(21-7)16(9-14)20-6/h8-9,11-13,18H,10H2,1-7H3.
What are the key properties of 2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine?
2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine is sourced from PubChem (CID 64568461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).