2-(4-tert-butylphenoxy)-N,N-dimethylethanamine

C14H23NO — CID 5261951

IUPAC2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H23NO/c1-14(2,3)12-6-8-13(9-7-12)16-11-10-15(4)5/h6-9H,10-11H2,1-5H3
InChIKeyYIHQSHZGUVBLTN-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.92
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N,N-dimethylethanamine

2-(4-tert-butylphenoxy)-N,N-dimethylethanamine (PubChem CID 5261951) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
PubChem CID5261951
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H23NO/c1-14(2,3)12-6-8-13(9-7-12)16-11-10-15(4)5/h6-9H,10-11H2,1-5H3
InChIKeyYIHQSHZGUVBLTN-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 134582807
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
N,N-dimethyl-2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propoxy]ethanamine
CID 177328633
(2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol
CID 125466418
N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine
CID 2182203
4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
CID 2058010
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline
CID 110455054
3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine
CID 5262127
2-[4-(1,2-diiodo-1,2-diphenylbutyl)phenoxy]-N,N-dimethylethanamine
CID 69003301
1-tert-butyl-4-(3-deuteriopropoxy)benzene
CID 177106772
4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
CID 82539793

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-tert-butylphenoxy)-N,N-dimethylethanamine (CID 5261951) is 2-(4-tert-butylphenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N,N-dimethylethanamine is CN(C)CCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N,N-dimethylethanamine?
The InChIKey is YIHQSHZGUVBLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,3)12-6-8-13(9-7-12)16-11-10-15(4)5/h6-9H,10-11H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenoxy)-N,N-dimethylethanamine?
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 5261951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).