[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine

C18H23NO2 — CID 114332989

IUPAC[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine
SMILESCOc1ccc(CN)c(OCCCCc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-20-17-11-10-16(14-19)18(13-17)21-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12,14,19H2,1H3
InChIKeyAEHCLRNSJCLOBK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.56
Rot. Bonds8

About [4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine

[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine (PubChem CID 114332989) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine
PubChem CID114332989
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine
SMILESCOc1ccc(CN)c(OCCCCc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-20-17-11-10-16(14-19)18(13-17)21-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12,14,19H2,1H3
InChIKeyAEHCLRNSJCLOBK-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-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936765
[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
CID 54958135
4-methoxy-2-(3-phenylpropoxy)benzonitrile
CID 22685905
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
[2,4-bis(3-phenylpropoxy)phenyl]methanol
CID 54794890
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503
[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269630
2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide
CID 22685010

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine?
The IUPAC name of [4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine (CID 114332989) is [4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine.
What is the SMILES notation for [4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine?
The canonical SMILES for [4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine is COc1ccc(CN)c(OCCCCc2ccccc2)c1.
What is the InChIKey of [4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine?
The InChIKey is AEHCLRNSJCLOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-20-17-11-10-16(14-19)18(13-17)21-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12,14,19H2,1H3.
What are the key properties of [4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine?
[4-methoxy-2-(4-phenylbutoxy)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-methoxy-2-(4-phenylbutoxy)phenyl]methanamine is sourced from PubChem (CID 114332989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).