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

C18H23NO2 — CID 43254285

IUPAC[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
SMILESCCc1cccc(OCCCOc2ccc(CN)cc2)c1
InChIInChI=1S/C18H23NO2/c1-2-15-5-3-6-18(13-15)21-12-4-11-20-17-9-7-16(14-19)8-10-17/h3,5-10,13H,2,4,11-12,14,19H2,1H3
InChIKeyXQDRESBLRHWNCD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.56
Rot. Bonds8

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

[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine (PubChem CID 43254285) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
PubChem CID43254285
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
SMILESCCc1cccc(OCCCOc2ccc(CN)cc2)c1
InChIInChI=1S/C18H23NO2/c1-2-15-5-3-6-18(13-15)21-12-4-11-20-17-9-7-16(14-19)8-10-17/h3,5-10,13H,2,4,11-12,14,19H2,1H3
InChIKeyXQDRESBLRHWNCD-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

[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
[3-[3-(4-methylsulfanylphenoxy)propoxy]phenyl]methanamine
CID 63649819
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
CID 63986556
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine
CID 2299706
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine?
The IUPAC name of [4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine (CID 43254285) is [4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine?
The canonical SMILES for [4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine is CCc1cccc(OCCCOc2ccc(CN)cc2)c1.
What is the InChIKey of [4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine?
The InChIKey is XQDRESBLRHWNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-15-5-3-6-18(13-15)21-12-4-11-20-17-9-7-16(14-19)8-10-17/h3,5-10,13H,2,4,11-12,14,19H2,1H3.
What are the key properties of [4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine?
[4-[3-(3-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 [4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 43254285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).