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

C15H23NO — CID 54906123

IUPACN-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
SMILESCc1ccc(CNCC2CCCOC2)cc1C
InChIInChI=1S/C15H23NO/c1-12-5-6-14(8-13(12)2)9-16-10-15-4-3-7-17-11-15/h5-6,8,15-16H,3-4,7,9-11H2,1-2H3
InChIKeyNHPUTQVLSRVGPQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.82
Rot. Bonds4

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

N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine (PubChem CID 54906123) 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-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
PubChem CID54906123
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
SMILESCc1ccc(CNCC2CCCOC2)cc1C
InChIInChI=1S/C15H23NO/c1-12-5-6-14(8-13(12)2)9-16-10-15-4-3-7-17-11-15/h5-6,8,15-16H,3-4,7,9-11H2,1-2H3
InChIKeyNHPUTQVLSRVGPQ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
N-[(3,4-dichlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906440
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine
CID 54906782
N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 79978645
N-[(3-bromo-4-chlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 83235438
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 61019678
N,N-diethyl-4-[(oxan-3-ylmethylamino)methyl]aniline
CID 61019907
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
1-(oxan-3-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 55147927
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
N-(furan-3-ylmethyl)-1-(oxan-3-yl)methanamine
CID 63001698

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine (CID 54906123) is N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine is Cc1ccc(CNCC2CCCOC2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is NHPUTQVLSRVGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-5-6-14(8-13(12)2)9-16-10-15-4-3-7-17-11-15/h5-6,8,15-16H,3-4,7,9-11H2,1-2H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine?
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine has a molecular weight of 233.35 g/mol, XLogP of 2.82, 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-3-yl)methanamine is sourced from PubChem (CID 54906123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).