N-[4-(aminomethyl)-2-methylphenyl]formamide

C9H12N2O — CID 82502855

IUPACN-[4-(aminomethyl)-2-methylphenyl]formamide
SMILESCc1cc(CN)ccc1NC=O
InChIInChI=1S/C9H12N2O/c1-7-4-8(5-10)2-3-9(7)11-6-12/h2-4,6H,5,10H2,1H3,(H,11,12)
InChIKeyLXOBZFJEZHSZJB-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.02
Rot. Bonds3

About N-[4-(aminomethyl)-2-methylphenyl]formamide

N-[4-(aminomethyl)-2-methylphenyl]formamide (PubChem CID 82502855) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-methylphenyl]formamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-methylphenyl]formamide
PubChem CID82502855
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-[4-(aminomethyl)-2-methylphenyl]formamide
SMILESCc1cc(CN)ccc1NC=O
InChIInChI=1S/C9H12N2O/c1-7-4-8(5-10)2-3-9(7)11-6-12/h2-4,6H,5,10H2,1H3,(H,11,12)
InChIKeyLXOBZFJEZHSZJB-UHFFFAOYSA-N
XLogP1.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Monoethylglycinexylidide
CID 24415
N'-(2,4-dimethylphenyl)-N-methylformamidine
CID 36326
N-Acetyl-2,6-xylidine
CID 16616
N-(2,4-Dimethylphenyl)acetamide
CID 16303
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
Trimecaine
CID 12028
Glycine xylidide
CID 87833
N-(2,4-Dimethylphenyl)formamide
CID 92363
N-(4-Methylphenyl)urea
CID 12148
Formamide, N-(2-methylphenyl)-
CID 7202
2,N-Dimethylaniline
CID 69137
6-Methylquinolin-2(1H)-one
CID 12237458

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-methylphenyl]formamide?
The IUPAC name of N-[4-(aminomethyl)-2-methylphenyl]formamide (CID 82502855) is N-[4-(aminomethyl)-2-methylphenyl]formamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-methylphenyl]formamide?
The canonical SMILES for N-[4-(aminomethyl)-2-methylphenyl]formamide is Cc1cc(CN)ccc1NC=O.
What is the InChIKey of N-[4-(aminomethyl)-2-methylphenyl]formamide?
The InChIKey is LXOBZFJEZHSZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-4-8(5-10)2-3-9(7)11-6-12/h2-4,6H,5,10H2,1H3,(H,11,12).
What are the key properties of N-[4-(aminomethyl)-2-methylphenyl]formamide?
N-[4-(aminomethyl)-2-methylphenyl]formamide has a molecular weight of 164.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-methylphenyl]formamide is sourced from PubChem (CID 82502855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).