N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine

C15H26N2O — CID 62419349

IUPACN-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
SMILESCCC(C)N(C)CCOc1ccc(CNC)cc1
InChIInChI=1S/C15H26N2O/c1-5-13(2)17(4)10-11-18-15-8-6-14(7-9-15)12-16-3/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyQAEAMYDKUFCHLX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds8

About N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine

N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine (PubChem CID 62419349) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
PubChem CID62419349
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
SMILESCCC(C)N(C)CCOc1ccc(CNC)cc1
InChIInChI=1S/C15H26N2O/c1-5-13(2)17(4)10-11-18-15-8-6-14(7-9-15)12-16-3/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyQAEAMYDKUFCHLX-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 55074867
2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290703
N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62436768
2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine
CID 62424640
N-ethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 55074636
N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 62413212
N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine
CID 62426627
N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine
CID 62444200
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine
CID 62420374
1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine
CID 92983616
N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62435152
N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62420375

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine?
The IUPAC name of N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine (CID 62419349) is N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine.
What is the SMILES notation for N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine?
The canonical SMILES for N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine is CCC(C)N(C)CCOc1ccc(CNC)cc1.
What is the InChIKey of N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine?
The InChIKey is QAEAMYDKUFCHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-13(2)17(4)10-11-18-15-8-6-14(7-9-15)12-16-3/h6-9,13,16H,5,10-12H2,1-4H3.
What are the key properties of N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine?
N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine is sourced from PubChem (CID 62419349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).