3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine

C19H33NO3 — CID 5262127

IUPAC3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine
SMILESCOCCN(CCCOc1ccc(C(C)(C)C)cc1)CCOC
InChIInChI=1S/C19H33NO3/c1-19(2,3)17-7-9-18(10-8-17)23-14-6-11-20(12-15-21-4)13-16-22-5/h7-10H,6,11-16H2,1-5H3
InChIKeyWFIWMTXBMMGCCM-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.35
Rot. Bonds11

About 3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine

3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine (PubChem CID 5262127) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine
PubChem CID5262127
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine
SMILESCOCCN(CCCOc1ccc(C(C)(C)C)cc1)CCOC
InChIInChI=1S/C19H33NO3/c1-19(2,3)17-7-9-18(10-8-17)23-14-6-11-20(12-15-21-4)13-16-22-5/h7-10H,6,11-16H2,1-5H3
InChIKeyWFIWMTXBMMGCCM-UHFFFAOYSA-N
XLogP3.35
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
CID 2058010
N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine
CID 113468128
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62572894
1-(5-bromopentoxy)-4-tert-butylbenzene
CID 5186697
3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea
CID 60545386
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
2-[4-(2-methoxyethoxy)phenyl]propan-2-amine
CID 95440689
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
1-tert-butyl-4-pent-4-ynoxybenzene
CID 19983623
2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol
CID 115613860
2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 134582807

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine (CID 5262127) is 3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine is COCCN(CCCOc1ccc(C(C)(C)C)cc1)CCOC.
What is the InChIKey of 3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine?
The InChIKey is WFIWMTXBMMGCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-19(2,3)17-7-9-18(10-8-17)23-14-6-11-20(12-15-21-4)13-16-22-5/h7-10H,6,11-16H2,1-5H3.
What are the key properties of 3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine?
3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine has a molecular weight of 323.48 g/mol, XLogP of 3.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 5262127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).