N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine

C16H26N2O — CID 43277400

IUPACN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCCN(CC)CCOc1ccccc1CNC1CC1
InChIInChI=1S/C16H26N2O/c1-3-18(4-2)11-12-19-16-8-6-5-7-14(16)13-17-15-9-10-15/h5-8,15,17H,3-4,9-13H2,1-2H3
InChIKeyQKVJFXCMSVZHPV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds9

About N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine

N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 43277400) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID43277400
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCCN(CC)CCOc1ccccc1CNC1CC1
InChIInChI=1S/C16H26N2O/c1-3-18(4-2)11-12-19-16-8-6-5-7-14(16)13-17-15-9-10-15/h5-8,15,17H,3-4,9-13H2,1-2H3
InChIKeyQKVJFXCMSVZHPV-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62418765
N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009926
4-N-cyclopropyl-1-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzene-1,4-disulfonamide
CID 55703303
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 54937034
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine
CID 62444426
N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine
CID 116793588
4-[(2-butoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509937
1-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methyl-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111529267
2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine
CID 63691253

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine (CID 43277400) is N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine is CCN(CC)CCOc1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is QKVJFXCMSVZHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18(4-2)11-12-19-16-8-6-5-7-14(16)13-17-15-9-10-15/h5-8,15,17H,3-4,9-13H2,1-2H3.
What are the key properties of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 262.40 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43277400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).