[3-methyl-4-(nitrosomethyl)phenyl]methanamine

C9H12N2O — CID 142082936

IUPAC[3-methyl-4-(nitrosomethyl)phenyl]methanamine
SMILESCc1cc(CN)ccc1CN=O
InChIInChI=1S/C9H12N2O/c1-7-4-8(5-10)2-3-9(7)6-11-12/h2-4H,5-6,10H2,1H3
InChIKeyQYEYYJHTBLTAKE-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.72
Rot. Bonds3

About [3-methyl-4-(nitrosomethyl)phenyl]methanamine

[3-methyl-4-(nitrosomethyl)phenyl]methanamine (PubChem CID 142082936) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is [3-methyl-4-(nitrosomethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(nitrosomethyl)phenyl]methanamine
PubChem CID142082936
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name[3-methyl-4-(nitrosomethyl)phenyl]methanamine
SMILESCc1cc(CN)ccc1CN=O
InChIInChI=1S/C9H12N2O/c1-7-4-8(5-10)2-3-9(7)6-11-12/h2-4H,5-6,10H2,1H3
InChIKeyQYEYYJHTBLTAKE-UHFFFAOYSA-N
XLogP1.72
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)-2-methylphenyl]methanethiol
CID 145486508
[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
[4-[(3,4-dimethylphenyl)sulfonylmethyl]-3-methylphenyl]methanamine
CID 114486133
[3-methyl-4-(2-methylidenebutyl)phenyl]methanamine
CID 143341982
4-(aminomethyl)-2-methylaniline
CID 18727732
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479266
[3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 114479420
(2-methyl-4-propylphenyl)methanamine
CID 86664509
[4-[(4-chlorophenyl)methylsulfanylmethyl]-3-methylphenyl]methanamine
CID 114790763
[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478620
[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 66479645

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(nitrosomethyl)phenyl]methanamine?
The IUPAC name of [3-methyl-4-(nitrosomethyl)phenyl]methanamine (CID 142082936) is [3-methyl-4-(nitrosomethyl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(nitrosomethyl)phenyl]methanamine?
The canonical SMILES for [3-methyl-4-(nitrosomethyl)phenyl]methanamine is Cc1cc(CN)ccc1CN=O.
What is the InChIKey of [3-methyl-4-(nitrosomethyl)phenyl]methanamine?
The InChIKey is QYEYYJHTBLTAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-4-8(5-10)2-3-9(7)6-11-12/h2-4H,5-6,10H2,1H3.
What are the key properties of [3-methyl-4-(nitrosomethyl)phenyl]methanamine?
[3-methyl-4-(nitrosomethyl)phenyl]methanamine has a molecular weight of 164.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(nitrosomethyl)phenyl]methanamine is sourced from PubChem (CID 142082936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).