N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine

C17H28N2O — CID 62418765

IUPACN-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
SMILESCCC(C)N(C)CCOc1ccccc1CNC1CC1
InChIInChI=1S/C17H28N2O/c1-4-14(2)19(3)11-12-20-17-8-6-5-7-15(17)13-18-16-9-10-16/h5-8,14,16,18H,4,9-13H2,1-3H3
InChIKeyYCFGGVMLTMPFED-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds9

About N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine

N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 62418765) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID62418765
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
SMILESCCC(C)N(C)CCOc1ccccc1CNC1CC1
InChIInChI=1S/C17H28N2O/c1-4-14(2)19(3)11-12-20-17-8-6-5-7-15(17)13-18-16-9-10-16/h5-8,14,16,18H,4,9-13H2,1-3H3
InChIKeyYCFGGVMLTMPFED-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 43277400
N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009926
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971
N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine
CID 62433074
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 54937034
N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine
CID 115987871
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine
CID 62444426
4-[(2-butoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509937
N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine
CID 116793588
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62484643

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine (CID 62418765) is N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine is CCC(C)N(C)CCOc1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is YCFGGVMLTMPFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-14(2)19(3)11-12-20-17-8-6-5-7-15(17)13-18-16-9-10-16/h5-8,14,16,18H,4,9-13H2,1-3H3.
What are the key properties of N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62418765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).