N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine

C15H23NO — CID 55014332

IUPACN-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1ccc(CNCC2CCCCO2)cc1C
InChIInChI=1S/C15H23NO/c1-12-6-7-14(9-13(12)2)10-16-11-15-5-3-4-8-17-15/h6-7,9,15-16H,3-5,8,10-11H2,1-2H3
InChIKeyJJPONYGOOUDWET-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.96
Rot. Bonds4

About N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine

N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 55014332) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID55014332
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1ccc(CNCC2CCCCO2)cc1C
InChIInChI=1S/C15H23NO/c1-12-6-7-14(9-13(12)2)10-16-11-15-5-3-4-8-17-15/h6-7,9,15-16H,3-5,8,10-11H2,1-2H3
InChIKeyJJPONYGOOUDWET-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine
CID 105378407
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 60977016
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29223887
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014706

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine (CID 55014332) is N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine is Cc1ccc(CNCC2CCCCO2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is JJPONYGOOUDWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-7-14(9-13(12)2)10-16-11-15-5-3-4-8-17-15/h6-7,9,15-16H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine?
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 233.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 55014332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).