N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine

C24H35NO2 — CID 54807638

IUPACN-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCc1ccc(OCC(C)C)cc1OCC(C)C
InChIInChI=1S/C24H35NO2/c1-18(2)16-26-23-11-10-22(24(14-23)27-17-19(3)4)15-25-13-12-21-9-7-6-8-20(21)5/h6-11,14,18-19,25H,12-13,15-17H2,1-5H3
InChIKeyQKSZKEAJXUKSEN-UHFFFAOYSA-N
MW369.55 g/mol
LogP5.40
Rot. Bonds11

About N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine

N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 54807638) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine
PubChem CID54807638
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC NameN-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCc1ccc(OCC(C)C)cc1OCC(C)C
InChIInChI=1S/C24H35NO2/c1-18(2)16-26-23-11-10-22(24(14-23)27-17-19(3)4)15-25-13-12-21-9-7-6-8-20(21)5/h6-11,14,18-19,25H,12-13,15-17H2,1-5H3
InChIKeyQKSZKEAJXUKSEN-UHFFFAOYSA-N
XLogP5.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807495
1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803640
N-[[2-(2-methylpropoxy)phenyl]methyl]butan-1-amine
CID 54797416
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
N-[[2,4-bis(3-phenylpropoxy)phenyl]methyl]-2-phenylethanamine
CID 54804846
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
2-(2-methylphenyl)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 26163358
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763664
N-[(4-bromo-2-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910576
3-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]benzonitrile
CID 114480531
2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39418717

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine (CID 54807638) is N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine is Cc1ccccc1CCNCc1ccc(OCC(C)C)cc1OCC(C)C.
What is the InChIKey of N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is QKSZKEAJXUKSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c1-18(2)16-26-23-11-10-22(24(14-23)27-17-19(3)4)15-25-13-12-21-9-7-6-8-20(21)5/h6-11,14,18-19,25H,12-13,15-17H2,1-5H3.
What are the key properties of N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine?
N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 369.55 g/mol, XLogP of 5.40, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 54807638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).