N-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine

C19H31NO — CID 63506868

IUPACN-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine
SMILESC=CCNCCOc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C19H31NO/c1-8-11-20-12-13-21-17-10-9-15(18(2,3)4)14-16(17)19(5,6)7/h8-10,14,20H,1,11-13H2,2-7H3
InChIKeyIDLZYHYGCYNKRQ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.44
Rot. Bonds6

About N-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine

N-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine (PubChem CID 63506868) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine
PubChem CID63506868
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine
SMILESC=CCNCCOc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C19H31NO/c1-8-11-20-12-13-21-17-10-9-15(18(2,3)4)14-16(17)19(5,6)7/h8-10,14,20H,1,11-13H2,2-7H3
InChIKeyIDLZYHYGCYNKRQ-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(2,4-ditert-butylphenoxy)ethanamine
CID 54855738
2-[2-(2,4-ditert-butylphenoxy)ethoxy]benzaldehyde
CID 22685837
N-[2-(2,4-ditert-butylphenoxy)ethyl]-2-methoxyaniline
CID 54798140
3-chloro-N-[2-(2,4-ditert-butylphenoxy)ethyl]-4-fluoroaniline
CID 54798275
N-[2-(2,4-ditert-butylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800763
3-chloro-N-[2-(2,4-ditert-butylphenoxy)ethyl]-2-methylaniline
CID 54797157
N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine
CID 55092999
N-[2-(2,4-ditert-butylphenoxy)ethyl]-2-(2-methylpropoxy)aniline
CID 54800070
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine
CID 62573018
3-(2-tert-butyl-4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2299839
2-(2,4-ditert-butylphenoxy)-N-[8-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]octyl]acetamide
CID 17233420
2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene
CID 20728990

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine (CID 63506868) is N-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine is C=CCNCCOc1ccc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of N-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine?
The InChIKey is IDLZYHYGCYNKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-8-11-20-12-13-21-17-10-9-15(18(2,3)4)14-16(17)19(5,6)7/h8-10,14,20H,1,11-13H2,2-7H3.
What are the key properties of N-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine?
N-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 63506868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).