N-[(3-nitrosophenyl)methyl]ethanamine

C9H12N2O — CID 89069550

IUPACN-[(3-nitrosophenyl)methyl]ethanamine
SMILESCCNCc1cccc(N=O)c1
InChIInChI=1S/C9H12N2O/c1-2-10-7-8-4-3-5-9(6-8)11-12/h3-6,10H,2,7H2,1H3
InChIKeyAZZGFNPOMFUIQV-UHFFFAOYSA-N
MW164.21 g/mol
LogP2.19
Rot. Bonds4

About N-[(3-nitrosophenyl)methyl]ethanamine

N-[(3-nitrosophenyl)methyl]ethanamine (PubChem CID 89069550) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-[(3-nitrosophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-nitrosophenyl)methyl]ethanamine
PubChem CID89069550
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-[(3-nitrosophenyl)methyl]ethanamine
SMILESCCNCc1cccc(N=O)c1
InChIInChI=1S/C9H12N2O/c1-2-10-7-8-4-3-5-9(6-8)11-12/h3-6,10H,2,7H2,1H3
InChIKeyAZZGFNPOMFUIQV-UHFFFAOYSA-N
XLogP2.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-nitrosophenyl)methyl]methanesulfonamide
CID 123247228
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
3-(ethylaminomethyl)benzaldehyde
CID 90105279
N-benzylethanamine;tris(yttrium)
CID 158198357
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
[3-(ethylaminomethyl)phenyl]boronic acid
CID 46785556
N,N-dimethyl-2-(3-nitrosophenyl)ethanamine
CID 143527748
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrosophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-nitrosophenyl)methyl]ethanamine (CID 89069550) is N-[(3-nitrosophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-nitrosophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-nitrosophenyl)methyl]ethanamine is CCNCc1cccc(N=O)c1.
What is the InChIKey of N-[(3-nitrosophenyl)methyl]ethanamine?
The InChIKey is AZZGFNPOMFUIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-10-7-8-4-3-5-9(6-8)11-12/h3-6,10H,2,7H2,1H3.
What are the key properties of N-[(3-nitrosophenyl)methyl]ethanamine?
N-[(3-nitrosophenyl)methyl]ethanamine has a molecular weight of 164.21 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrosophenyl)methyl]ethanamine is sourced from PubChem (CID 89069550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).