3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine

C17H30N2O — CID 105347627

IUPAC3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCCc1ccc(CN(C)CCCOC)cc1
InChIInChI=1S/C17H30N2O/c1-4-11-18-12-10-16-6-8-17(9-7-16)15-19(2)13-5-14-20-3/h6-9,18H,4-5,10-15H2,1-3H3
InChIKeyQCQSNZUACWXOAI-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.70
Rot. Bonds11

About 3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine

3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine (PubChem CID 105347627) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine
PubChem CID105347627
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCCc1ccc(CN(C)CCCOC)cc1
InChIInChI=1S/C17H30N2O/c1-4-11-18-12-10-16-6-8-17(9-7-16)15-19(2)13-5-14-20-3/h6-9,18H,4-5,10-15H2,1-3H3
InChIKeyQCQSNZUACWXOAI-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.70
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-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347558
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63007765
2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 105351790
N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63008493
N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine
CID 62411901
N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347771
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347551
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
N-(3-methoxypropyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63007852
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63008130
3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63007586

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine (CID 105347627) is 3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine is CCCNCCc1ccc(CN(C)CCCOC)cc1.
What is the InChIKey of 3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine?
The InChIKey is QCQSNZUACWXOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-11-18-12-10-16-6-8-17(9-7-16)15-19(2)13-5-14-20-3/h6-9,18H,4-5,10-15H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine?
3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.70, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 105347627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).