N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine

C18H23N — CID 66481817

IUPACN-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine
SMILESCNCc1ccc(-c2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C18H23N/c1-13(2)16-6-8-17(9-7-16)18-10-5-15(12-19-4)11-14(18)3/h5-11,13,19H,12H2,1-4H3
InChIKeyDWTNSASRBKUHAS-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.50
Rot. Bonds4

About N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine

N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine (PubChem CID 66481817) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine
PubChem CID66481817
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine
SMILESCNCc1ccc(-c2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C18H23N/c1-13(2)16-6-8-17(9-7-16)18-10-5-15(12-19-4)11-14(18)3/h5-11,13,19H,12H2,1-4H3
InChIKeyDWTNSASRBKUHAS-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine (CID 66481817) is N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine is CNCc1ccc(-c2ccc(C(C)C)cc2)c(C)c1.
What is the InChIKey of N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine?
The InChIKey is DWTNSASRBKUHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13(2)16-6-8-17(9-7-16)18-10-5-15(12-19-4)11-14(18)3/h5-11,13,19H,12H2,1-4H3.
What are the key properties of N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine?
N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine has a molecular weight of 253.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine is sourced from PubChem (CID 66481817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).