N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine

C15H23NO — CID 103743653

IUPACN-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
SMILESCc1cccc(CNCC2(C)CCOCC2)c1
InChIInChI=1S/C15H23NO/c1-13-4-3-5-14(10-13)11-16-12-15(2)6-8-17-9-7-15/h3-5,10,16H,6-9,11-12H2,1-2H3
InChIKeyINQJQFTWEZLUEZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.90
Rot. Bonds4

About N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine

N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine (PubChem CID 103743653) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
PubChem CID103743653
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
SMILESCc1cccc(CNCC2(C)CCOCC2)c1
InChIInChI=1S/C15H23NO/c1-13-4-3-5-14(10-13)11-16-12-15(2)6-8-17-9-7-15/h3-5,10,16H,6-9,11-12H2,1-2H3
InChIKeyINQJQFTWEZLUEZ-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
CID 103743628
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103992171
N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 103903391
[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine
CID 114125954
N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine
CID 103743629
3-[[(1-methylcyclopropyl)methylamino]methyl]phenol
CID 103724255
1-(2-bromo-4-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103845158
1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 113253102
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
CID 115244764
N-[(4-methyloxan-4-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115686396
1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266984

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine (CID 103743653) is N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine is Cc1cccc(CNCC2(C)CCOCC2)c1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine?
The InChIKey is INQJQFTWEZLUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13-4-3-5-14(10-13)11-16-12-15(2)6-8-17-9-7-15/h3-5,10,16H,6-9,11-12H2,1-2H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine?
N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine has a molecular weight of 233.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 103743653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).