4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline

C16H27NO2 — CID 103409298

IUPAC4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
SMILESCOCCOCCCNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-16(2,3)14-6-8-15(9-7-14)17-10-5-11-19-13-12-18-4/h6-9,17H,5,10-13H2,1-4H3
InChIKeyKILMPNZUNFNURI-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.45
Rot. Bonds8

About 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline

4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline (PubChem CID 103409298) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
PubChem CID103409298
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
SMILESCOCCOCCCNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-16(2,3)14-6-8-15(9-7-14)17-10-5-11-19-13-12-18-4/h6-9,17H,5,10-13H2,1-4H3
InChIKeyKILMPNZUNFNURI-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103409400
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(trifluoromethyl)aniline
CID 103409498
N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline
CID 62648259
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
aniline;3-(2-methoxyethoxy)propan-1-amine;4-N-(3-methoxypropyl)benzene-1,4-diamine
CID 154679408
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline
CID 103409365
3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409297
N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline
CID 103409295
4-[3-(4-tert-butylanilino)propoxy]benzoic acid
CID 14882817

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline?
The IUPAC name of 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline (CID 103409298) is 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline.
What is the SMILES notation for 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline?
The canonical SMILES for 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline is COCCOCCCNc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline?
The InChIKey is KILMPNZUNFNURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-16(2,3)14-6-8-15(9-7-14)17-10-5-11-19-13-12-18-4/h6-9,17H,5,10-13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline?
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline has a molecular weight of 265.40 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline is sourced from PubChem (CID 103409298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).