N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine

C16H28N2O — CID 105347558

IUPACN-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(CN(C)CCOC)cc1
InChIInChI=1S/C16H28N2O/c1-4-10-17-11-9-15-5-7-16(8-6-15)14-18(2)12-13-19-3/h5-8,17H,4,9-14H2,1-3H3
InChIKeyMGCYXPTYVSKLSE-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.31
Rot. Bonds10

About N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine

N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine (PubChem CID 105347558) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine
PubChem CID105347558
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(CN(C)CCOC)cc1
InChIInChI=1S/C16H28N2O/c1-4-10-17-11-9-15-5-7-16(8-6-15)14-18(2)12-13-19-3/h5-8,17H,4,9-14H2,1-3H3
InChIKeyMGCYXPTYVSKLSE-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.31
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

3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine
CID 105347627
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347551
2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine
CID 105348193
N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347771
ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
N'-[[4-(dimethylamino)phenyl]methyl]-N'-methyl-N-propylethane-1,2-diamine
CID 113409088
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]propan-1-amine
CID 105350646
N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55070478
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine (CID 105347558) is N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine is CCCNCCc1ccc(CN(C)CCOC)cc1.
What is the InChIKey of N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine?
The InChIKey is MGCYXPTYVSKLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-10-17-11-9-15-5-7-16(8-6-15)14-18(2)12-13-19-3/h5-8,17H,4,9-14H2,1-3H3.
What are the key properties of N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine?
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 105347558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).