N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine

C20H27N — CID 116543873

IUPACN-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H27N/c1-5-7-16-8-6-9-19(14-16)20(21-4)18-12-10-17(11-13-18)15(2)3/h6,8-15,20-21H,5,7H2,1-4H3
InChIKeyFYRHEMPJDXJVIJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.07
Rot. Bonds6

About N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine

N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine (PubChem CID 116543873) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
PubChem CID116543873
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H27N/c1-5-7-16-8-6-9-19(14-16)20(21-4)18-12-10-17(11-13-18)15(2)3/h6,8-15,20-21H,5,7H2,1-4H3
InChIKeyFYRHEMPJDXJVIJ-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050563
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050441
N-methyl-1-(3-propylphenyl)-1-pyrimidin-5-ylmethanamine
CID 102923924
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050407
1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116544137
N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234
1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116543823
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433
N-[(3-chloro-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050507
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116543927
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050302

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine?
The IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine (CID 116543873) is N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine is CCCc1cccc(C(NC)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine?
The InChIKey is FYRHEMPJDXJVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-7-16-8-6-9-19(14-16)20(21-4)18-12-10-17(11-13-18)15(2)3/h6,8-15,20-21H,5,7H2,1-4H3.
What are the key properties of N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine?
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine has a molecular weight of 281.44 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine is sourced from PubChem (CID 116543873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).