N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine

C15H26N2O — CID 82952722

IUPACN-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine
SMILESCNCc1cccc(CN(CCOC)C(C)C)c1
InChIInChI=1S/C15H26N2O/c1-13(2)17(8-9-18-4)12-15-7-5-6-14(10-15)11-16-3/h5-7,10,13,16H,8-9,11-12H2,1-4H3
InChIKeyNYZPHYRKWYNPOJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.26
Rot. Bonds8

About N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine

N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine (PubChem CID 82952722) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine
PubChem CID82952722
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine
SMILESCNCc1cccc(CN(CCOC)C(C)C)c1
InChIInChI=1S/C15H26N2O/c1-13(2)17(8-9-18-4)12-15-7-5-6-14(10-15)11-16-3/h5-7,10,13,16H,8-9,11-12H2,1-4H3
InChIKeyNYZPHYRKWYNPOJ-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 62422195
2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline
CID 82948357
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106056406
N-(2-methoxyethyl)-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103438491
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine
CID 112665980
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine
CID 105348193
N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 55074982
1-[3-(methylaminomethyl)phenyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 106055642
2-ethoxy-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 82983167
1-methoxy-N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106906404
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 107454826

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine (CID 82952722) is N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine is CNCc1cccc(CN(CCOC)C(C)C)c1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine?
The InChIKey is NYZPHYRKWYNPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(2)17(8-9-18-4)12-15-7-5-6-14(10-15)11-16-3/h5-7,10,13,16H,8-9,11-12H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine?
N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 82952722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).