N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine

C24H35NO2 — CID 4722820

IUPACN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine
SMILESCCCCCCCCNCc1ccc(OCc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C24H35NO2/c1-4-5-6-7-8-9-15-25-18-21-13-14-23(24(17-21)26-3)27-19-22-12-10-11-20(2)16-22/h10-14,16-17,25H,4-9,15,18-19H2,1-3H3
InChIKeyRNTQSQLNIAISOI-UHFFFAOYSA-N
MW369.55 g/mol
LogP6.03
Rot. Bonds13

About N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine

N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine (PubChem CID 4722820) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine
PubChem CID4722820
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC NameN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine
SMILESCCCCCCCCNCc1ccc(OCc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C24H35NO2/c1-4-5-6-7-8-9-15-25-18-21-13-14-23(24(17-21)26-3)27-19-22-12-10-11-20(2)16-22/h10-14,16-17,25H,4-9,15,18-19H2,1-3H3
InChIKeyRNTQSQLNIAISOI-UHFFFAOYSA-N
XLogP6.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 56.03
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-ethyl-N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]propane-1,3-diamine
CID 17215636
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4719473
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine;hydrochloride
CID 17293936
1-(4-heptoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54803754
N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 66535078
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]heptan-1-amine;hydrochloride
CID 17293956
N-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 43278774
2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 92925113
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine?
The IUPAC name of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine (CID 4722820) is N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine.
What is the SMILES notation for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine?
The canonical SMILES for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine is CCCCCCCCNCc1ccc(OCc2cccc(C)c2)c(OC)c1.
What is the InChIKey of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine?
The InChIKey is RNTQSQLNIAISOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c1-4-5-6-7-8-9-15-25-18-21-13-14-23(24(17-21)26-3)27-19-22-12-10-11-20(2)16-22/h10-14,16-17,25H,4-9,15,18-19H2,1-3H3.
What are the key properties of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine?
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine has a molecular weight of 369.55 g/mol, XLogP of 6.03, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine is sourced from PubChem (CID 4722820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).