[2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine

C18H23NO2 — CID 43254053

IUPAC[2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine
SMILESCCc1ccc(OCCCOc2ccccc2CN)cc1
InChIInChI=1S/C18H23NO2/c1-2-15-8-10-17(11-9-15)20-12-5-13-21-18-7-4-3-6-16(18)14-19/h3-4,6-11H,2,5,12-14,19H2,1H3
InChIKeyLZWXTVCZWCAJEU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.56
Rot. Bonds8

About [2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine

[2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine (PubChem CID 43254053) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine
PubChem CID43254053
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine
SMILESCCc1ccc(OCCCOc2ccccc2CN)cc1
InChIInChI=1S/C18H23NO2/c1-2-15-8-10-17(11-9-15)20-12-5-13-21-18-7-4-3-6-16(18)14-19/h3-4,6-11H,2,5,12-14,19H2,1H3
InChIKeyLZWXTVCZWCAJEU-UHFFFAOYSA-N
XLogP3.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.56
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

2-[3-(4-ethylphenoxy)propoxy]benzonitrile
CID 43289370
[4-[3-(2-bromophenoxy)propoxy]phenyl]methanamine
CID 43530985
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
[2-(3-ethylsulfanylpropoxy)phenyl]methanamine
CID 43530019
[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936765
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470
[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine
CID 43254007
3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
CID 82353346
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine?
The IUPAC name of [2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine (CID 43254053) is [2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine?
The canonical SMILES for [2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine is CCc1ccc(OCCCOc2ccccc2CN)cc1.
What is the InChIKey of [2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine?
The InChIKey is LZWXTVCZWCAJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-15-8-10-17(11-9-15)20-12-5-13-21-18-7-4-3-6-16(18)14-19/h3-4,6-11H,2,5,12-14,19H2,1H3.
What are the key properties of [2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine?
[2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 43254053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).