3-(4-aminophenyl)butyl N-tert-butylcarbamate

C15H24N2O2 — CID 175312760

IUPAC3-(4-aminophenyl)butyl N-tert-butylcarbamate
SMILESCC(CCOC(=O)NC(C)(C)C)c1ccc(N)cc1
InChIInChI=1S/C15H24N2O2/c1-11(12-5-7-13(16)8-6-12)9-10-19-14(18)17-15(2,3)4/h5-8,11H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyBFCIDNOSGDXWHP-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.29
Rot. Bonds4

About 3-(4-aminophenyl)butyl N-tert-butylcarbamate

3-(4-aminophenyl)butyl N-tert-butylcarbamate (PubChem CID 175312760) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(4-aminophenyl)butyl N-tert-butylcarbamate.

Molecular Properties

Compound Name3-(4-aminophenyl)butyl N-tert-butylcarbamate
PubChem CID175312760
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(4-aminophenyl)butyl N-tert-butylcarbamate
SMILESCC(CCOC(=O)NC(C)(C)C)c1ccc(N)cc1
InChIInChI=1S/C15H24N2O2/c1-11(12-5-7-13(16)8-6-12)9-10-19-14(18)17-15(2,3)4/h5-8,11H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyBFCIDNOSGDXWHP-UHFFFAOYSA-N
XLogP3.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenoxy)ethyl N-tert-butylcarbamate
CID 174910550
2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 118435267
(4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate
CID 170945298
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride
CID 19028305
3-methylbutyl N-(4-aminophenyl)carbamate;hydrochloride
CID 24836337
[4-(4-sulfaniumylcarbonyloxybutan-2-yl)phenyl]methylsulfanium
CID 143961316
[4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate
CID 170945321
3-phenylbutyl N-(2-acetamidoethyl)carbamate
CID 6734518
1-(4-aminophenyl)ethylurea
CID 43298080
[(3R)-3-phenylbutyl] acetate
CID 12598598

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)butyl N-tert-butylcarbamate?
The IUPAC name of 3-(4-aminophenyl)butyl N-tert-butylcarbamate (CID 175312760) is 3-(4-aminophenyl)butyl N-tert-butylcarbamate.
What is the SMILES notation for 3-(4-aminophenyl)butyl N-tert-butylcarbamate?
The canonical SMILES for 3-(4-aminophenyl)butyl N-tert-butylcarbamate is CC(CCOC(=O)NC(C)(C)C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)butyl N-tert-butylcarbamate?
The InChIKey is BFCIDNOSGDXWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(12-5-7-13(16)8-6-12)9-10-19-14(18)17-15(2,3)4/h5-8,11H,9-10,16H2,1-4H3,(H,17,18).
What are the key properties of 3-(4-aminophenyl)butyl N-tert-butylcarbamate?
3-(4-aminophenyl)butyl N-tert-butylcarbamate has a molecular weight of 264.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)butyl N-tert-butylcarbamate is sourced from PubChem (CID 175312760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).