N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine

C17H29NO3 — CID 105013814

IUPACN,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine
SMILESCCNC(c1cc(OC)c(OC)c(OC)c1)C(CC)CC
InChIInChI=1S/C17H29NO3/c1-7-12(8-2)16(18-9-3)13-10-14(19-4)17(21-6)15(11-13)20-5/h10-12,16,18H,7-9H2,1-6H3
InChIKeyYKENUKPIIJLMKH-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.80
Rot. Bonds9

About N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine

N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine (PubChem CID 105013814) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine
PubChem CID105013814
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine
SMILESCCNC(c1cc(OC)c(OC)c(OC)c1)C(CC)CC
InChIInChI=1S/C17H29NO3/c1-7-12(8-2)16(18-9-3)13-10-14(19-4)17(21-6)15(11-13)20-5/h10-12,16,18H,7-9H2,1-6H3
InChIKeyYKENUKPIIJLMKH-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-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66204962
2-(ethylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 43115147
2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 114978465
N-ethyl-1-(3,4,5-trimethoxyphenyl)pent-3-yn-1-amine
CID 115819415
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-1-amine
CID 43363394
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 60956072
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
CID 62601956
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116954412
N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine
CID 43489783
2-sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanol
CID 116830062
N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine
CID 22163988
N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82710078

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine?
The IUPAC name of N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine (CID 105013814) is N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine?
The canonical SMILES for N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine is CCNC(c1cc(OC)c(OC)c(OC)c1)C(CC)CC.
What is the InChIKey of N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine?
The InChIKey is YKENUKPIIJLMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-7-12(8-2)16(18-9-3)13-10-14(19-4)17(21-6)15(11-13)20-5/h10-12,16,18H,7-9H2,1-6H3.
What are the key properties of N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine?
N,2-diethyl-1-(3,4,5-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 N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine is sourced from PubChem (CID 105013814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).