[3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine

C17H21NO — CID 63457064

IUPAC[3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine
SMILESCc1cc(C)c(C)c(Oc2ccc(CN)cc2C)c1
InChIInChI=1S/C17H21NO/c1-11-7-12(2)14(4)17(8-11)19-16-6-5-15(10-18)9-13(16)3/h5-9H,10,18H2,1-4H3
InChIKeyPFYKVPXAWLNXAN-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.17
Rot. Bonds3

About [3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine

[3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine (PubChem CID 63457064) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is [3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine
PubChem CID63457064
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name[3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine
SMILESCc1cc(C)c(C)c(Oc2ccc(CN)cc2C)c1
InChIInChI=1S/C17H21NO/c1-11-7-12(2)14(4)17(8-11)19-16-6-5-15(10-18)9-13(16)3/h5-9H,10,18H2,1-4H3
InChIKeyPFYKVPXAWLNXAN-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 20986827
[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
CID 63456904
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691
[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
CID 82797229
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 43314321
[4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine
CID 62124219
[2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
CID 65338686
[4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine
CID 63458562
[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methanamine
CID 81250797
[3-methyl-4-(3-methyl-2-nitrophenoxy)phenyl]methanamine
CID 62125464
[2-(2,4-dimethylphenoxy)phenyl]methanamine
CID 19627395

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine?
The IUPAC name of [3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine (CID 63457064) is [3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine?
The canonical SMILES for [3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine is Cc1cc(C)c(C)c(Oc2ccc(CN)cc2C)c1.
What is the InChIKey of [3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine?
The InChIKey is PFYKVPXAWLNXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11-7-12(2)14(4)17(8-11)19-16-6-5-15(10-18)9-13(16)3/h5-9H,10,18H2,1-4H3.
What are the key properties of [3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine?
[3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine is sourced from PubChem (CID 63457064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).