[4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine

C20H27N — CID 43106145

IUPAC[4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(CC(C)C)cc2)c(C)c1
InChIInChI=1S/C20H27N/c1-13(2)10-17-6-8-18(9-7-17)20(21)19-15(4)11-14(3)12-16(19)5/h6-9,11-13,20H,10,21H2,1-5H3
InChIKeyFXYWMPLLCMTSDM-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.86
Rot. Bonds4

About [4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine

[4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine (PubChem CID 43106145) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
PubChem CID43106145
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name[4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(CC(C)C)cc2)c(C)c1
InChIInChI=1S/C20H27N/c1-13(2)10-17-6-8-18(9-7-17)20(21)19-15(4)11-14(3)12-16(19)5/h6-9,11-13,20H,10,21H2,1-5H3
InChIKeyFXYWMPLLCMTSDM-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
CID 43100339
(2-methoxy-5-methylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 62504903
2-(4-ethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 115803358
(2,4-dimethylphenyl) 2-[4-(2-methylpropyl)phenyl]propanoate
CID 4073405
1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene
CID 63436140
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
(2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine
CID 107960519
(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 114368817

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of [4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine (CID 43106145) is [4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2ccc(CC(C)C)cc2)c(C)c1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is FXYWMPLLCMTSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-13(2)10-17-6-8-18(9-7-17)20(21)19-15(4)11-14(3)12-16(19)5/h6-9,11-13,20H,10,21H2,1-5H3.
What are the key properties of [4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine?
[4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 281.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 43106145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).