N-methyl-1-(4-methylphenyl)methanamine

C9H13N — CID 2794640

IUPACN-methyl-1-(4-methylphenyl)methanamine
SMILESCNCc1ccc(C)cc1
InChIInChI=1S/C9H13N/c1-8-3-5-9(6-4-8)7-10-2/h3-6,10H,7H2,1-2H3
InChIKeyYDFFIGRIWDSNOZ-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.71
Rot. Bonds2

About N-methyl-1-(4-methylphenyl)methanamine

N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 2794640) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)methanamine
PubChem CID2794640
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-methyl-1-(4-methylphenyl)methanamine
SMILESCNCc1ccc(C)cc1
InChIInChI=1S/C9H13N/c1-8-3-5-9(6-4-8)7-10-2/h3-6,10H,7H2,1-2H3
InChIKeyYDFFIGRIWDSNOZ-UHFFFAOYSA-N
XLogP1.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of N-methyl-1-(4-methylphenyl)methanamine (CID 2794640) is N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)methanamine is CNCc1ccc(C)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is YDFFIGRIWDSNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-8-3-5-9(6-4-8)7-10-2/h3-6,10H,7H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)methanamine?
N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 135.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 2794640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).