N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine

C15H26N2O — CID 55074867

IUPACN-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
SMILESCCC(C)N(C)CCOc1cccc(CNC)c1
InChIInChI=1S/C15H26N2O/c1-5-13(2)17(4)9-10-18-15-8-6-7-14(11-15)12-16-3/h6-8,11,13,16H,5,9-10,12H2,1-4H3
InChIKeyHIYQFHKUIVUPIO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds8

About N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine

N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine (PubChem CID 55074867) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
PubChem CID55074867
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
SMILESCCC(C)N(C)CCOc1cccc(CNC)c1
InChIInChI=1S/C15H26N2O/c1-5-13(2)17(4)9-10-18-15-8-6-7-14(11-15)12-16-3/h6-8,11,13,16H,5,9-10,12H2,1-4H3
InChIKeyHIYQFHKUIVUPIO-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-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62419349
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62416994
N-methyl-1-methylsulfanyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 115987888
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62421824
3-[2-[butan-2-yl(methyl)amino]ethoxy]benzoic acid
CID 43532634
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
CID 141109153
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62426299
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62420181
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine?
The IUPAC name of N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine (CID 55074867) is N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine.
What is the SMILES notation for N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine?
The canonical SMILES for N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine is CCC(C)N(C)CCOc1cccc(CNC)c1.
What is the InChIKey of N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine?
The InChIKey is HIYQFHKUIVUPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-13(2)17(4)9-10-18-15-8-6-7-14(11-15)12-16-3/h6-8,11,13,16H,5,9-10,12H2,1-4H3.
What are the key properties of N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine?
N-methyl-N-[2-[3-(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-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine is sourced from PubChem (CID 55074867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).