2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline

C14H23NO — CID 176584221

IUPAC2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCc1ccc(C(C)C)c(N)c1
InChIInChI=1S/C14H23NO/c1-10(2)13-6-5-12(9-14(13)15)7-8-16-11(3)4/h5-6,9-11H,7-8,15H2,1-4H3
InChIKeyIXDPZRDOJATVJS-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.36
Rot. Bonds5

About 2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline

2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline (PubChem CID 176584221) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline.

Molecular Properties

Compound Name2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline
PubChem CID176584221
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCc1ccc(C(C)C)c(N)c1
InChIInChI=1S/C14H23NO/c1-10(2)13-6-5-12(9-14(13)15)7-8-16-11(3)4/h5-6,9-11H,7-8,15H2,1-4H3
InChIKeyIXDPZRDOJATVJS-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-4-propan-2-ylphenyl)propane-1-thiol
CID 130271394
5-(chloromethyl)-2-propan-2-ylaniline
CID 89209031
(1R)-1-[2-amino-4-(3-chloropropyl)phenyl]ethanol
CID 67672985
ethane;5-methyl-2-propan-2-ylaniline
CID 142850696
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 81059455
3-propan-2-yl-2-(propan-2-yloxymethyl)aniline
CID 174277979
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770
2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 54958174
5-[2-[[6-methoxy-1-(4-methoxy-2-methylphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]-2-propan-2-ylaniline
CID 155573460
5-(pentafluoro-λ6-sulfanyl)-2-propan-2-ylaniline
CID 172563907
2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline
CID 65216960

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline?
The IUPAC name of 2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline (CID 176584221) is 2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline.
What is the SMILES notation for 2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline?
The canonical SMILES for 2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline is CC(C)OCCc1ccc(C(C)C)c(N)c1.
What is the InChIKey of 2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline?
The InChIKey is IXDPZRDOJATVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)13-6-5-12(9-14(13)15)7-8-16-11(3)4/h5-6,9-11H,7-8,15H2,1-4H3.
What are the key properties of 2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline?
2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline has a molecular weight of 221.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(2-propan-2-yloxyethyl)aniline is sourced from PubChem (CID 176584221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).