N-ethyl-2,3-dimethyl-4-propoxyaniline

C13H21NO — CID 82266389

IUPACN-ethyl-2,3-dimethyl-4-propoxyaniline
SMILESCCCOc1ccc(NCC)c(C)c1C
InChIInChI=1S/C13H21NO/c1-5-9-15-13-8-7-12(14-6-2)10(3)11(13)4/h7-8,14H,5-6,9H2,1-4H3
InChIKeyCCUIIOJERNAXEN-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.52
Rot. Bonds5

About N-ethyl-2,3-dimethyl-4-propoxyaniline

N-ethyl-2,3-dimethyl-4-propoxyaniline (PubChem CID 82266389) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-4-propoxyaniline.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-4-propoxyaniline
PubChem CID82266389
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-ethyl-2,3-dimethyl-4-propoxyaniline
SMILESCCCOc1ccc(NCC)c(C)c1C
InChIInChI=1S/C13H21NO/c1-5-9-15-13-8-7-12(14-6-2)10(3)11(13)4/h7-8,14H,5-6,9H2,1-4H3
InChIKeyCCUIIOJERNAXEN-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,5-dipropoxyaniline
CID 82267866
N-ethyl-8-propoxyquinolin-5-amine
CID 82264799
1,2-dichloro-3-methyl-4-propoxybenzene
CID 156723250
2-(5-methyl-2-propoxyanilino)ethanethiol
CID 83961741
1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol
CID 82266399
N-ethyl-5-nitro-2,4-dipropoxyaniline
CID 96710244
N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline
CID 83961753
N,5-dimethyl-2-propoxyaniline
CID 82263415
2-methyl-3-propoxyaniline
CID 23134606
N'-(5-methyl-2-propoxyphenyl)propane-1,3-diamine
CID 83961727
N,2-diethyl-8-propoxyquinolin-4-amine
CID 63481576
2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane
CID 83958937

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-4-propoxyaniline?
The IUPAC name of N-ethyl-2,3-dimethyl-4-propoxyaniline (CID 82266389) is N-ethyl-2,3-dimethyl-4-propoxyaniline.
What is the SMILES notation for N-ethyl-2,3-dimethyl-4-propoxyaniline?
The canonical SMILES for N-ethyl-2,3-dimethyl-4-propoxyaniline is CCCOc1ccc(NCC)c(C)c1C.
What is the InChIKey of N-ethyl-2,3-dimethyl-4-propoxyaniline?
The InChIKey is CCUIIOJERNAXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-9-15-13-8-7-12(14-6-2)10(3)11(13)4/h7-8,14H,5-6,9H2,1-4H3.
What are the key properties of N-ethyl-2,3-dimethyl-4-propoxyaniline?
N-ethyl-2,3-dimethyl-4-propoxyaniline has a molecular weight of 207.32 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-4-propoxyaniline is sourced from PubChem (CID 82266389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).