4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline

C17H24N2O2 — CID 62437153

IUPAC4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
SMILESCCCNCc1coc(CN(C)c2ccc(OC)cc2)c1
InChIInChI=1S/C17H24N2O2/c1-4-9-18-11-14-10-17(21-13-14)12-19(2)15-5-7-16(20-3)8-6-15/h5-8,10,13,18H,4,9,11-12H2,1-3H3
InChIKeyRTUVMRHDQPJBSK-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.42
Rot. Bonds8

About 4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline

4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline (PubChem CID 62437153) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
PubChem CID62437153
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
SMILESCCCNCc1coc(CN(C)c2ccc(OC)cc2)c1
InChIInChI=1S/C17H24N2O2/c1-4-9-18-11-14-10-17(21-13-14)12-19(2)15-5-7-16(20-3)8-6-15/h5-8,10,13,18H,4,9,11-12H2,1-3H3
InChIKeyRTUVMRHDQPJBSK-UHFFFAOYSA-N
XLogP3.42
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62463396
N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62447474
3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63007586
N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 63967204
N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 55072380
5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63584554
N-[(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820468
N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62554647
N-(2-methoxyethyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62434699
N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine
CID 114820512
N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline
CID 62435627

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline?
The IUPAC name of 4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline (CID 62437153) is 4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline is CCCNCc1coc(CN(C)c2ccc(OC)cc2)c1.
What is the InChIKey of 4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline?
The InChIKey is RTUVMRHDQPJBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-9-18-11-14-10-17(21-13-14)12-19(2)15-5-7-16(20-3)8-6-15/h5-8,10,13,18H,4,9,11-12H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline?
4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline has a molecular weight of 288.39 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 62437153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).