N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine

C19H33NO2 — CID 54804945

IUPACN-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
SMILESCCCCCCCCOc1ccc(CNCCC)cc1OC
InChIInChI=1S/C19H33NO2/c1-4-6-7-8-9-10-14-22-18-12-11-17(15-19(18)21-3)16-20-13-5-2/h11-12,15,20H,4-10,13-14,16H2,1-3H3
InChIKeyGKMZAEXNBLKWOO-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.93
Rot. Bonds13

About N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine

N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine (PubChem CID 54804945) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
PubChem CID54804945
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC NameN-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
SMILESCCCCCCCCOc1ccc(CNCCC)cc1OC
InChIInChI=1S/C19H33NO2/c1-4-6-7-8-9-10-14-22-18-12-11-17(15-19(18)21-3)16-20-13-5-2/h11-12,15,20H,4-10,13-14,16H2,1-3H3
InChIKeyGKMZAEXNBLKWOO-UHFFFAOYSA-N
XLogP4.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.93
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-[(3-methoxy-4-nonoxyphenyl)methyl]propan-1-amine
CID 83951182
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine
CID 54849470
N',N'-diethyl-N-[(4-hexoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54849213
3-[(3-methoxy-4-octoxyphenyl)methylamino]propylphosphonic acid
CID 10287343
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
1-(4-heptoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54803754
N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]heptan-1-amine;hydrochloride
CID 17333184
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807529
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847727
N-[[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449780

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine (CID 54804945) is N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine is CCCCCCCCOc1ccc(CNCCC)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine?
The InChIKey is GKMZAEXNBLKWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-4-6-7-8-9-10-14-22-18-12-11-17(15-19(18)21-3)16-20-13-5-2/h11-12,15,20H,4-10,13-14,16H2,1-3H3.
What are the key properties of N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine?
N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine has a molecular weight of 307.48 g/mol, XLogP of 4.93, 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-octoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 54804945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).