8-(4-methoxyphenyl)octan-4-amine

C15H25NO — CID 65442846

IUPAC8-(4-methoxyphenyl)octan-4-amine
SMILESCCCC(N)CCCCc1ccc(OC)cc1
InChIInChI=1S/C15H25NO/c1-3-6-14(16)8-5-4-7-13-9-11-15(17-2)12-10-13/h9-12,14H,3-8,16H2,1-2H3
InChIKeyPNAAPVLEKPTEQT-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.54
Rot. Bonds8

About 8-(4-methoxyphenyl)octan-4-amine

8-(4-methoxyphenyl)octan-4-amine (PubChem CID 65442846) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)octan-4-amine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)octan-4-amine
PubChem CID65442846
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name8-(4-methoxyphenyl)octan-4-amine
SMILESCCCC(N)CCCCc1ccc(OC)cc1
InChIInChI=1S/C15H25NO/c1-3-6-14(16)8-5-4-7-13-9-11-15(17-2)12-10-13/h9-12,14H,3-8,16H2,1-2H3
InChIKeyPNAAPVLEKPTEQT-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane
CID 142803034
1-(4-ethoxyphenyl)heptan-4-amine
CID 83932178
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-(5-chloroheptyl)-4-methoxybenzene
CID 65443850
4-(4-aminoheptyl)aniline
CID 83928416
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
2-[5-(4-methoxyphenyl)pentyl]octanoic acid
CID 139937458
6-(4-methoxyphenyl)-2-methylhexan-3-amine
CID 83932077
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)octan-4-amine?
The IUPAC name of 8-(4-methoxyphenyl)octan-4-amine (CID 65442846) is 8-(4-methoxyphenyl)octan-4-amine.
What is the SMILES notation for 8-(4-methoxyphenyl)octan-4-amine?
The canonical SMILES for 8-(4-methoxyphenyl)octan-4-amine is CCCC(N)CCCCc1ccc(OC)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)octan-4-amine?
The InChIKey is PNAAPVLEKPTEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-6-14(16)8-5-4-7-13-9-11-15(17-2)12-10-13/h9-12,14H,3-8,16H2,1-2H3.
What are the key properties of 8-(4-methoxyphenyl)octan-4-amine?
8-(4-methoxyphenyl)octan-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)octan-4-amine is sourced from PubChem (CID 65442846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).