N,5-dimethyl-2-propoxyaniline

C11H17NO — CID 82263415

IUPACN,5-dimethyl-2-propoxyaniline
SMILESCCCOc1ccc(C)cc1NC
InChIInChI=1S/C11H17NO/c1-4-7-13-11-6-5-9(2)8-10(11)12-3/h5-6,8,12H,4,7H2,1-3H3
InChIKeyIJIYAPSKHJCXNI-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.83
Rot. Bonds4

About N,5-dimethyl-2-propoxyaniline

N,5-dimethyl-2-propoxyaniline (PubChem CID 82263415) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N,5-dimethyl-2-propoxyaniline.

Molecular Properties

Compound NameN,5-dimethyl-2-propoxyaniline
PubChem CID82263415
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN,5-dimethyl-2-propoxyaniline
SMILESCCCOc1ccc(C)cc1NC
InChIInChI=1S/C11H17NO/c1-4-7-13-11-6-5-9(2)8-10(11)12-3/h5-6,8,12H,4,7H2,1-3H3
InChIKeyIJIYAPSKHJCXNI-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-N-methyl-2-propoxyaniline
CID 82264393
2-(5-methyl-2-propoxyanilino)ethanethiol
CID 83961741
N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline
CID 83961753
N'-(5-methyl-2-propoxyphenyl)propane-1,3-diamine
CID 83961727
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline
CID 83961757
5-bromo-N-methyl-2,4-dipropoxyaniline
CID 82550683
5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline
CID 83961735
4-methyl-2-propoxyaniline
CID 24698653
N-(4-methyl-2-propoxyphenyl)methanesulfonamide
CID 61063067
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-propoxyaniline?
The IUPAC name of N,5-dimethyl-2-propoxyaniline (CID 82263415) is N,5-dimethyl-2-propoxyaniline.
What is the SMILES notation for N,5-dimethyl-2-propoxyaniline?
The canonical SMILES for N,5-dimethyl-2-propoxyaniline is CCCOc1ccc(C)cc1NC.
What is the InChIKey of N,5-dimethyl-2-propoxyaniline?
The InChIKey is IJIYAPSKHJCXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-7-13-11-6-5-9(2)8-10(11)12-3/h5-6,8,12H,4,7H2,1-3H3.
What are the key properties of N,5-dimethyl-2-propoxyaniline?
N,5-dimethyl-2-propoxyaniline has a molecular weight of 179.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-propoxyaniline is sourced from PubChem (CID 82263415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).