N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine

C15H23NO — CID 43778528

IUPACN-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine
SMILESCc1cc(C)c(CNC2CCOCC2)cc1C
InChIInChI=1S/C15H23NO/c1-11-8-13(3)14(9-12(11)2)10-16-15-4-6-17-7-5-15/h8-9,15-16H,4-7,10H2,1-3H3
InChIKeyXAPHLJNSCXMEJM-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.88
Rot. Bonds3

About N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine

N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine (PubChem CID 43778528) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine
PubChem CID43778528
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine
SMILESCc1cc(C)c(CNC2CCOCC2)cc1C
InChIInChI=1S/C15H23NO/c1-11-8-13(3)14(9-12(11)2)10-16-15-4-6-17-7-5-15/h8-9,15-16H,4-7,10H2,1-3H3
InChIKeyXAPHLJNSCXMEJM-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine
CID 55189666
N-[(4-bromo-2-fluoro-5-methylphenyl)methyl]oxan-4-amine
CID 171906168
N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine
CID 115632214
2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine
CID 82726551
N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine
CID 96674047
3-methyl-4-[(oxolan-3-ylamino)methyl]benzonitrile
CID 114480582
tert-butyl N-[4-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]carbamate
CID 113240121
N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]oxan-4-amine
CID 64988294
2,4-dichloro-6-[(oxan-4-ylamino)methyl]phenol
CID 43609941
N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine
CID 115732123
N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 43609618
N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
CID 82493922

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine?
The IUPAC name of N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine (CID 43778528) is N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine?
The canonical SMILES for N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine is Cc1cc(C)c(CNC2CCOCC2)cc1C.
What is the InChIKey of N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine?
The InChIKey is XAPHLJNSCXMEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-8-13(3)14(9-12(11)2)10-16-15-4-6-17-7-5-15/h8-9,15-16H,4-7,10H2,1-3H3.
What are the key properties of N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine?
N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine has a molecular weight of 233.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine is sourced from PubChem (CID 43778528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).