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

C17H21N — CID 66479645

IUPAC[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine
SMILESCc1cc(C)c(-c2ccc(CN)cc2C)cc1C
InChIInChI=1S/C17H21N/c1-11-7-13(3)17(9-12(11)2)16-6-5-15(10-18)8-14(16)4/h5-9H,10,18H2,1-4H3
InChIKeyNVOIGQBLOBYADJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.05
Rot. Bonds2

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

[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine (PubChem CID 66479645) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is [3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine
PubChem CID66479645
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine
SMILESCc1cc(C)c(-c2ccc(CN)cc2C)cc1C
InChIInChI=1S/C17H21N/c1-11-7-13(3)17(9-12(11)2)16-6-5-15(10-18)8-14(16)4/h5-9H,10,18H2,1-4H3
InChIKeyNVOIGQBLOBYADJ-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 66479818
[4-(3,5-dimethylphenyl)-3-methylphenyl]methanamine
CID 66480214
[4-(4-ethylphenyl)-3-methylphenyl]methanamine
CID 66481033
[3-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985236
[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine
CID 66479632
[4-(3,5-difluorophenyl)-3-methylphenyl]methanamine
CID 66479617
[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine
CID 81441213
4-(aminomethyl)-2-methylaniline
CID 18727732
[4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 115502881
4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline
CID 66481798
[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine
CID 54911954
[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methanamine
CID 105410096

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine?
The IUPAC name of [3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine (CID 66479645) is [3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine?
The canonical SMILES for [3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine is Cc1cc(C)c(-c2ccc(CN)cc2C)cc1C.
What is the InChIKey of [3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine?
The InChIKey is NVOIGQBLOBYADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-11-7-13(3)17(9-12(11)2)16-6-5-15(10-18)8-14(16)4/h5-9H,10,18H2,1-4H3.
What are the key properties of [3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine?
[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine has a molecular weight of 239.36 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine is sourced from PubChem (CID 66479645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).