2-(4-butoxy-3-methylphenoxy)-N-methylethanamine

C14H23NO2 — CID 123497187

IUPAC2-(4-butoxy-3-methylphenoxy)-N-methylethanamine
SMILESCCCCOc1ccc(OCCNC)cc1C
InChIInChI=1S/C14H23NO2/c1-4-5-9-17-14-7-6-13(11-12(14)2)16-10-8-15-3/h6-7,11,15H,4-5,8-10H2,1-3H3
InChIKeyWMYYOHOSLCIWDC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.77
Rot. Bonds8

About 2-(4-butoxy-3-methylphenoxy)-N-methylethanamine

2-(4-butoxy-3-methylphenoxy)-N-methylethanamine (PubChem CID 123497187) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(4-butoxy-3-methylphenoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-butoxy-3-methylphenoxy)-N-methylethanamine
PubChem CID123497187
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(4-butoxy-3-methylphenoxy)-N-methylethanamine
SMILESCCCCOc1ccc(OCCNC)cc1C
InChIInChI=1S/C14H23NO2/c1-4-5-9-17-14-7-6-13(11-12(14)2)16-10-8-15-3/h6-7,11,15H,4-5,8-10H2,1-3H3
InChIKeyWMYYOHOSLCIWDC-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.77
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

4-butoxy-N-[2-(4-chloro-2-methylphenoxy)ethyl]aniline
CID 54799222
1-dodecoxy-4-[4-(4-dodecoxyphenyl)phenyl]-2-methylbenzene
CID 59593849
3-butoxy-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54800729
1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane
CID 142841816
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
2-[4-(difluoromethyl)-2-methylphenoxy]-N-methylethanamine;fluoromethane
CID 142886574
1,2-dimethyl-4-propoxybenzene
CID 23549082
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
5-butoxy-2-methylphenol
CID 59445644
tris(3-methyl-4-propoxyphenyl) borate
CID 70231539
2-methyl-4-nonoxyaniline
CID 43128997

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxy-3-methylphenoxy)-N-methylethanamine?
The IUPAC name of 2-(4-butoxy-3-methylphenoxy)-N-methylethanamine (CID 123497187) is 2-(4-butoxy-3-methylphenoxy)-N-methylethanamine.
What is the SMILES notation for 2-(4-butoxy-3-methylphenoxy)-N-methylethanamine?
The canonical SMILES for 2-(4-butoxy-3-methylphenoxy)-N-methylethanamine is CCCCOc1ccc(OCCNC)cc1C.
What is the InChIKey of 2-(4-butoxy-3-methylphenoxy)-N-methylethanamine?
The InChIKey is WMYYOHOSLCIWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-5-9-17-14-7-6-13(11-12(14)2)16-10-8-15-3/h6-7,11,15H,4-5,8-10H2,1-3H3.
What are the key properties of 2-(4-butoxy-3-methylphenoxy)-N-methylethanamine?
2-(4-butoxy-3-methylphenoxy)-N-methylethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxy-3-methylphenoxy)-N-methylethanamine is sourced from PubChem (CID 123497187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).