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

C17H29NO3 — CID 54849470

IUPAC3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine
SMILESCCCCCOc1ccc(CNCCCOC)cc1OC
InChIInChI=1S/C17H29NO3/c1-4-5-6-12-21-16-9-8-15(13-17(16)20-3)14-18-10-7-11-19-2/h8-9,13,18H,4-7,10-12,14H2,1-3H3
InChIKeyXAXDYTLSIBOGJT-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.39
Rot. Bonds12

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

3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine (PubChem CID 54849470) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine
PubChem CID54849470
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine
SMILESCCCCCOc1ccc(CNCCCOC)cc1OC
InChIInChI=1S/C17H29NO3/c1-4-5-6-12-21-16-9-8-15(13-17(16)20-3)14-18-10-7-11-19-2/h8-9,13,18H,4-7,10-12,14H2,1-3H3
InChIKeyXAXDYTLSIBOGJT-UHFFFAOYSA-N
XLogP3.39
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628
N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
CID 54804945
3-[(3-methoxy-4-octoxyphenyl)methylamino]propylphosphonic acid
CID 10287343
3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 17206660
N',N'-diethyl-N-[(4-hexoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54849213
3-butoxy-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 17207562
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
2-[4-[(3-butoxypropylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17207962
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804537
N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]heptan-1-amine;hydrochloride
CID 17333184

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine (CID 54849470) is 3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine is CCCCCOc1ccc(CNCCCOC)cc1OC.
What is the InChIKey of 3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine?
The InChIKey is XAXDYTLSIBOGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-5-6-12-21-16-9-8-15(13-17(16)20-3)14-18-10-7-11-19-2/h8-9,13,18H,4-7,10-12,14H2,1-3H3.
What are the key properties of 3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine?
3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.39, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 54849470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).