N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine

C20H27N — CID 105408916

IUPACN-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(C)c(-c2cc(CNC(C)C)ccc2C)cc1C
InChIInChI=1S/C20H27N/c1-13(2)21-12-18-8-7-14(3)20(11-18)19-10-16(5)15(4)9-17(19)6/h7-11,13,21H,12H2,1-6H3
InChIKeyFBSGANAZRAOJTM-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.09
Rot. Bonds4

About N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine

N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 105408916) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
PubChem CID105408916
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(C)c(-c2cc(CNC(C)C)ccc2C)cc1C
InChIInChI=1S/C20H27N/c1-13(2)21-12-18-8-7-14(3)20(11-18)19-10-16(5)15(4)9-17(19)6/h7-11,13,21H,12H2,1-6H3
InChIKeyFBSGANAZRAOJTM-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105410097
N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66481228
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105409340
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
N-[[3-(2,3-difluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408883
N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408904
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 105408911
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408408
N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66480830
N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine
CID 105409562

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine (CID 105408916) is N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine is Cc1cc(C)c(-c2cc(CNC(C)C)ccc2C)cc1C.
What is the InChIKey of N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is FBSGANAZRAOJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-13(2)21-12-18-8-7-14(3)20(11-18)19-10-16(5)15(4)9-17(19)6/h7-11,13,21H,12H2,1-6H3.
What are the key properties of N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine?
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 105408916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).