1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine

C18H25NO3 — CID 119111120

IUPAC1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCCCCOc1ccc(CNCc2ccc(C)o2)cc1OC
InChIInChI=1S/C18H25NO3/c1-4-5-10-21-17-9-7-15(11-18(17)20-3)12-19-13-16-8-6-14(2)22-16/h6-9,11,19H,4-5,10,12-13H2,1-3H3
InChIKeyDWKJMTDXZDDCPQ-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.07
Rot. Bonds9

About 1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine

1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine (PubChem CID 119111120) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
PubChem CID119111120
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCCCCOc1ccc(CNCc2ccc(C)o2)cc1OC
InChIInChI=1S/C18H25NO3/c1-4-5-10-21-17-9-7-15(11-18(17)20-3)12-19-13-16-8-6-14(2)22-16/h6-9,11,19H,4-5,10,12-13H2,1-3H3
InChIKeyDWKJMTDXZDDCPQ-UHFFFAOYSA-N
XLogP4.07
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
1-(4-heptoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54803754
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628
N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
CID 54804945
N-[(3-methoxy-4-nonoxyphenyl)methyl]propan-1-amine
CID 83951182
2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 55081400
N-(furan-2-ylmethyl)-1-(4-methoxy-3-propoxyphenyl)methanamine
CID 39374430
1-(4-heptoxy-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803633
3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine
CID 54849470
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804537

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine (CID 119111120) is 1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine is CCCCOc1ccc(CNCc2ccc(C)o2)cc1OC.
What is the InChIKey of 1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The InChIKey is DWKJMTDXZDDCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-4-5-10-21-17-9-7-15(11-18(17)20-3)12-19-13-16-8-6-14(2)22-16/h6-9,11,19H,4-5,10,12-13H2,1-3H3.
What are the key properties of 1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine has a molecular weight of 303.40 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 119111120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).