N-methyl-1-[(3-methylphenyl)methoxy]methanamine

C10H15NO — CID 142182109

IUPACN-methyl-1-[(3-methylphenyl)methoxy]methanamine
SMILESCNCOCc1cccc(C)c1
InChIInChI=1S/C10H15NO/c1-9-4-3-5-10(6-9)7-12-8-11-2/h3-6,11H,7-8H2,1-2H3
InChIKeyHEJAXXABAKUOJI-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.69
Rot. Bonds4

About N-methyl-1-[(3-methylphenyl)methoxy]methanamine

N-methyl-1-[(3-methylphenyl)methoxy]methanamine (PubChem CID 142182109) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-1-[(3-methylphenyl)methoxy]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3-methylphenyl)methoxy]methanamine
PubChem CID142182109
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-methyl-1-[(3-methylphenyl)methoxy]methanamine
SMILESCNCOCc1cccc(C)c1
InChIInChI=1S/C10H15NO/c1-9-4-3-5-10(6-9)7-12-8-11-2/h3-6,11H,7-8H2,1-2H3
InChIKeyHEJAXXABAKUOJI-UHFFFAOYSA-N
XLogP1.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
1-(2,2-dimethylpropoxymethyl)-3-methylbenzene
CID 91703784
N-methyl-1-[(3-nitrophenyl)methoxy]methanamine
CID 175338015
1-(hexoxymethyl)-3-methylbenzene
CID 91805813
1-methyl-3-(propan-2-yloxymethyl)benzene
CID 10464662
(2S)-1-[(3-methylphenyl)methoxy]butan-2-amine
CID 97057916
1-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741925
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028
N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine
CID 145495304
(3-methylphenyl)methyl 2-(methylamino)propanoate
CID 145274403
N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine
CID 62757123
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-methylphenyl)methoxy]methanamine?
The IUPAC name of N-methyl-1-[(3-methylphenyl)methoxy]methanamine (CID 142182109) is N-methyl-1-[(3-methylphenyl)methoxy]methanamine.
What is the SMILES notation for N-methyl-1-[(3-methylphenyl)methoxy]methanamine?
The canonical SMILES for N-methyl-1-[(3-methylphenyl)methoxy]methanamine is CNCOCc1cccc(C)c1.
What is the InChIKey of N-methyl-1-[(3-methylphenyl)methoxy]methanamine?
The InChIKey is HEJAXXABAKUOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-9-4-3-5-10(6-9)7-12-8-11-2/h3-6,11H,7-8H2,1-2H3.
What are the key properties of N-methyl-1-[(3-methylphenyl)methoxy]methanamine?
N-methyl-1-[(3-methylphenyl)methoxy]methanamine has a molecular weight of 165.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-methylphenyl)methoxy]methanamine is sourced from PubChem (CID 142182109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).