5-tert-butyl-N-methyl-2-propoxyaniline

C14H23NO — CID 82264393

IUPAC5-tert-butyl-N-methyl-2-propoxyaniline
SMILESCCCOc1ccc(C(C)(C)C)cc1NC
InChIInChI=1S/C14H23NO/c1-6-9-16-13-8-7-11(14(2,3)4)10-12(13)15-5/h7-8,10,15H,6,9H2,1-5H3
InChIKeyWIRQOKMSAUECQV-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.81
Rot. Bonds4

About 5-tert-butyl-N-methyl-2-propoxyaniline

5-tert-butyl-N-methyl-2-propoxyaniline (PubChem CID 82264393) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-2-propoxyaniline.

Molecular Properties

Compound Name5-tert-butyl-N-methyl-2-propoxyaniline
PubChem CID82264393
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-tert-butyl-N-methyl-2-propoxyaniline
SMILESCCCOc1ccc(C(C)(C)C)cc1NC
InChIInChI=1S/C14H23NO/c1-6-9-16-13-8-7-11(14(2,3)4)10-12(13)15-5/h7-8,10,15H,6,9H2,1-5H3
InChIKeyWIRQOKMSAUECQV-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357
N,5-dimethyl-2-propoxyaniline
CID 82263415
5-tert-butyl-2-propoxybenzenesulfonyl chloride
CID 2757334
1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol
CID 82264401
5-bromo-N-methyl-2,4-dipropoxyaniline
CID 82550683
2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol
CID 61056737
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
N-ethyl-2,5-dipropoxyaniline
CID 82267866
4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene
CID 83935642
4-tert-butyl-2-(4-chlorobutan-2-yl)-1-propoxybenzene
CID 83935565
4-tert-butyl-N-methyl-2-propylaniline
CID 130296266
5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide
CID 172893941

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-methyl-2-propoxyaniline?
The IUPAC name of 5-tert-butyl-N-methyl-2-propoxyaniline (CID 82264393) is 5-tert-butyl-N-methyl-2-propoxyaniline.
What is the SMILES notation for 5-tert-butyl-N-methyl-2-propoxyaniline?
The canonical SMILES for 5-tert-butyl-N-methyl-2-propoxyaniline is CCCOc1ccc(C(C)(C)C)cc1NC.
What is the InChIKey of 5-tert-butyl-N-methyl-2-propoxyaniline?
The InChIKey is WIRQOKMSAUECQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-9-16-13-8-7-11(14(2,3)4)10-12(13)15-5/h7-8,10,15H,6,9H2,1-5H3.
What are the key properties of 5-tert-butyl-N-methyl-2-propoxyaniline?
5-tert-butyl-N-methyl-2-propoxyaniline has a molecular weight of 221.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-methyl-2-propoxyaniline is sourced from PubChem (CID 82264393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).