5-tert-butyl-2-(2-phenylethoxy)aniline

C18H23NO — CID 54853306

IUPAC5-tert-butyl-2-(2-phenylethoxy)aniline
SMILESCC(C)(C)c1ccc(OCCc2ccccc2)c(N)c1
InChIInChI=1S/C18H23NO/c1-18(2,3)15-9-10-17(16(19)13-15)20-12-11-14-7-5-4-6-8-14/h4-10,13H,11-12,19H2,1-3H3
InChIKeyCAKBJBGFMWRPTQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.19
Rot. Bonds4

About 5-tert-butyl-2-(2-phenylethoxy)aniline

5-tert-butyl-2-(2-phenylethoxy)aniline (PubChem CID 54853306) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-phenylethoxy)aniline.

Molecular Properties

Compound Name5-tert-butyl-2-(2-phenylethoxy)aniline
PubChem CID54853306
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name5-tert-butyl-2-(2-phenylethoxy)aniline
SMILESCC(C)(C)c1ccc(OCCc2ccccc2)c(N)c1
InChIInChI=1S/C18H23NO/c1-18(2,3)15-9-10-17(16(19)13-15)20-12-11-14-7-5-4-6-8-14/h4-10,13H,11-12,19H2,1-3H3
InChIKeyCAKBJBGFMWRPTQ-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.19
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

5-bromo-2-(2-phenylethoxy)aniline
CID 26190375
2-(2-phenylethoxy)-5-propan-2-ylaniline
CID 54853034
1-[3-amino-4-(2-phenylethoxy)phenyl]butan-1-one
CID 82064270
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene
CID 139335896
2-chloro-3-(2-phenylethoxy)aniline
CID 140509914
4,5-dimethoxy-2-(3-phenylpropoxy)aniline
CID 83005249
2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline
CID 65216960
2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine
CID 43450717
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804574

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-phenylethoxy)aniline?
The IUPAC name of 5-tert-butyl-2-(2-phenylethoxy)aniline (CID 54853306) is 5-tert-butyl-2-(2-phenylethoxy)aniline.
What is the SMILES notation for 5-tert-butyl-2-(2-phenylethoxy)aniline?
The canonical SMILES for 5-tert-butyl-2-(2-phenylethoxy)aniline is CC(C)(C)c1ccc(OCCc2ccccc2)c(N)c1.
What is the InChIKey of 5-tert-butyl-2-(2-phenylethoxy)aniline?
The InChIKey is CAKBJBGFMWRPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-18(2,3)15-9-10-17(16(19)13-15)20-12-11-14-7-5-4-6-8-14/h4-10,13H,11-12,19H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(2-phenylethoxy)aniline?
5-tert-butyl-2-(2-phenylethoxy)aniline has a molecular weight of 269.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-phenylethoxy)aniline is sourced from PubChem (CID 54853306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).