N,N-diethyl-1-phenylethanamine;nitroxyl

C12H20N2O — CID 144554786

IUPACN,N-diethyl-1-phenylethanamine;nitroxyl
SMILESCCN(CC)C(C)c1ccccc1.N=O
InChIInChI=1S/C12H19N.HNO/c1-4-13(5-2)11(3)12-9-7-6-8-10-12;1-2/h6-11H,4-5H2,1-3H3;1H
InChIKeyINOMUZIQEJLDEC-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.42
Rot. Bonds4

About N,N-diethyl-1-phenylethanamine;nitroxyl

N,N-diethyl-1-phenylethanamine;nitroxyl (PubChem CID 144554786) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N,N-diethyl-1-phenylethanamine;nitroxyl.

Molecular Properties

Compound NameN,N-diethyl-1-phenylethanamine;nitroxyl
PubChem CID144554786
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN,N-diethyl-1-phenylethanamine;nitroxyl
SMILESCCN(CC)C(C)c1ccccc1.N=O
InChIInChI=1S/C12H19N.HNO/c1-4-13(5-2)11(3)12-9-7-6-8-10-12;1-2/h6-11H,4-5H2,1-3H3;1H
InChIKeyINOMUZIQEJLDEC-UHFFFAOYSA-N
XLogP3.42
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
CID 129034055
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
N-ethyl-N-methylsulfanyl-1-phenylethanamine
CID 123514659
N,N-bis(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 138396559
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
azane;N-octadecyl-N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 174860139
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol
CID 15518749
carboxy-[3-[1-(diethylamino)ethyl]phenyl]-ethyl-methylazanium
CID 22601725
2-[pentyl(1-phenylethyl)amino]acetic acid
CID 70551743
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenylethanamine;nitroxyl?
The IUPAC name of N,N-diethyl-1-phenylethanamine;nitroxyl (CID 144554786) is N,N-diethyl-1-phenylethanamine;nitroxyl.
What is the SMILES notation for N,N-diethyl-1-phenylethanamine;nitroxyl?
The canonical SMILES for N,N-diethyl-1-phenylethanamine;nitroxyl is CCN(CC)C(C)c1ccccc1.N=O.
What is the InChIKey of N,N-diethyl-1-phenylethanamine;nitroxyl?
The InChIKey is INOMUZIQEJLDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.HNO/c1-4-13(5-2)11(3)12-9-7-6-8-10-12;1-2/h6-11H,4-5H2,1-3H3;1H.
What are the key properties of N,N-diethyl-1-phenylethanamine;nitroxyl?
N,N-diethyl-1-phenylethanamine;nitroxyl has a molecular weight of 208.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenylethanamine;nitroxyl is sourced from PubChem (CID 144554786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).