4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline

C14H24N2O — CID 63983501

IUPAC4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline
SMILESCCC(C)(C)N(C)CCOc1ccc(N)cc1
InChIInChI=1S/C14H24N2O/c1-5-14(2,3)16(4)10-11-17-13-8-6-12(15)7-9-13/h6-9H,5,10-11,15H2,1-4H3
InChIKeyACUPMBGOUVSRGH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.77
Rot. Bonds6

About 4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline

4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline (PubChem CID 63983501) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline
PubChem CID63983501
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline
SMILESCCC(C)(C)N(C)CCOc1ccc(N)cc1
InChIInChI=1S/C14H24N2O/c1-5-14(2,3)16(4)10-11-17-13-8-6-12(15)7-9-13/h6-9H,5,10-11,15H2,1-4H3
InChIKeyACUPMBGOUVSRGH-UHFFFAOYSA-N
XLogP2.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine
CID 63966983
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115638131
1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine
CID 113476446
2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115637871
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline
CID 79477986
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 54994996
4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
CID 55141452
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline?
The IUPAC name of 4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline (CID 63983501) is 4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline.
What is the SMILES notation for 4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline?
The canonical SMILES for 4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline is CCC(C)(C)N(C)CCOc1ccc(N)cc1.
What is the InChIKey of 4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline?
The InChIKey is ACUPMBGOUVSRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-14(2,3)16(4)10-11-17-13-8-6-12(15)7-9-13/h6-9H,5,10-11,15H2,1-4H3.
What are the key properties of 4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline?
4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline has a molecular weight of 236.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline is sourced from PubChem (CID 63983501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).