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

C16H28N2O — CID 62448969

IUPACN-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCOCCN(C)Cc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C16H28N2O/c1-14(2)11-17-12-15-5-7-16(8-6-15)13-18(3)9-10-19-4/h5-8,14,17H,9-13H2,1-4H3
InChIKeyPZYSJTOJHFFWIB-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.51
Rot. Bonds9

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

N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 62448969) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID62448969
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCOCCN(C)Cc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C16H28N2O/c1-14(2)11-17-12-15-5-7-16(8-6-15)13-18(3)9-10-19-4/h5-8,14,17H,9-13H2,1-4H3
InChIKeyPZYSJTOJHFFWIB-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63008493
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62418494
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
CID 63071872
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844461
ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
N'-(2-methoxyethyl)-N'-methyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 62843413
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62413226
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347558

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (CID 62448969) is N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is COCCN(C)Cc1ccc(CNCC(C)C)cc1.
What is the InChIKey of N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is PZYSJTOJHFFWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14(2)11-17-12-15-5-7-16(8-6-15)13-18(3)9-10-19-4/h5-8,14,17H,9-13H2,1-4H3.
What are the key properties of N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62448969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).