[4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine

C18H23NO2 — CID 43254276

IUPAC[4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine
SMILESCC(OCCCOc1ccc(CN)cc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-15(17-6-3-2-4-7-17)20-12-5-13-21-18-10-8-16(14-19)9-11-18/h2-4,6-11,15H,5,12-14,19H2,1H3
InChIKeyZRZXFNDVZVVYSG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.69
Rot. Bonds8

About [4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine

[4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine (PubChem CID 43254276) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine
PubChem CID43254276
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine
SMILESCC(OCCCOc1ccc(CN)cc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-15(17-6-3-2-4-7-17)20-12-5-13-21-18-10-8-16(14-19)9-11-18/h2-4,6-11,15H,5,12-14,19H2,1H3
InChIKeyZRZXFNDVZVVYSG-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
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

N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine
CID 62444200
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine
CID 43254235
1-butoxy-4-[2-[4-(1-butoxyethyl)phenyl]phenyl]benzene
CID 139693754
1-pentoxyethylbenzene;hydrate
CID 174634303
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
2-[1-(4-phenoxyphenyl)ethoxy]ethanamine
CID 112512699
[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 20989440
[4-[3-(2-bromophenoxy)propoxy]phenyl]methanamine
CID 43530985
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
1-decoxy-4-[2-[4-(1-heptoxyethyl)phenyl]phenyl]benzene
CID 139694138
1-tridecoxy-4-[2-[4-(1-tridecoxyethyl)phenyl]phenyl]benzene
CID 139694206

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine?
The IUPAC name of [4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine (CID 43254276) is [4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine?
The canonical SMILES for [4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine is CC(OCCCOc1ccc(CN)cc1)c1ccccc1.
What is the InChIKey of [4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine?
The InChIKey is ZRZXFNDVZVVYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15(17-6-3-2-4-7-17)20-12-5-13-21-18-10-8-16(14-19)9-11-18/h2-4,6-11,15H,5,12-14,19H2,1H3.
What are the key properties of [4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine?
[4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 43254276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).