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

C16H27NO3 — CID 43173534

IUPACN-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-7-8-11(2)17-12(3)13-9-14(18-4)16(20-6)15(10-13)19-5/h9-12,17H,7-8H2,1-6H3
InChIKeyLFISEZMUSYAUFQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.55
Rot. Bonds8

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

N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine (PubChem CID 43173534) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine
PubChem CID43173534
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-7-8-11(2)17-12(3)13-9-14(18-4)16(20-6)15(10-13)19-5/h9-12,17H,7-8H2,1-6H3
InChIKeyLFISEZMUSYAUFQ-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine
CID 43734058
1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine
CID 119165092
N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82710078
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-1-amine
CID 43363394
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine
CID 43191466
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine
CID 43111176
2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide
CID 43545300
N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82711410
2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 64568461
N-[1-(4-ethoxyphenyl)ethyl]pentan-2-amine
CID 43191473
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-yn-1-amine
CID 43363384

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine?
The IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine (CID 43173534) is N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine?
The canonical SMILES for N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine is CCCC(C)NC(C)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine?
The InChIKey is LFISEZMUSYAUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-7-8-11(2)17-12(3)13-9-14(18-4)16(20-6)15(10-13)19-5/h9-12,17H,7-8H2,1-6H3.
What are the key properties of N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine?
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine is sourced from PubChem (CID 43173534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).