N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine

C15H23NO — CID 80683443

IUPACN-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccccc1C)C1(C)CCCCO1
InChIInChI=1S/C15H23NO/c1-12-8-4-5-9-13(12)14(16-3)15(2)10-6-7-11-17-15/h4-5,8-9,14,16H,6-7,10-11H2,1-3H3
InChIKeyGKYZLEMCJQLFOY-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.21
Rot. Bonds3

About N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine

N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine (PubChem CID 80683443) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine
PubChem CID80683443
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccccc1C)C1(C)CCCCO1
InChIInChI=1S/C15H23NO/c1-12-8-4-5-9-13(12)14(16-3)15(2)10-6-7-11-17-15/h4-5,8-9,14,16H,6-7,10-11H2,1-3H3
InChIKeyGKYZLEMCJQLFOY-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1-methylcyclohexyl)-1-(2-methylphenyl)methanamine
CID 106829818
N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
CID 79066063
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 104660580
N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine
CID 81224497
N-methyl-1-(2-methylphenyl)-1-(1-morpholin-4-ylcyclopentyl)methanamine
CID 79061344
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144
methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate
CID 116959124
1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 114269056
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 103433754
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 107360044
N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708423
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 82822643

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine?
The IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine (CID 80683443) is N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine is CNC(c1ccccc1C)C1(C)CCCCO1.
What is the InChIKey of N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine?
The InChIKey is GKYZLEMCJQLFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-8-4-5-9-13(12)14(16-3)15(2)10-6-7-11-17-15/h4-5,8-9,14,16H,6-7,10-11H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine?
N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine has a molecular weight of 233.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 80683443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).