N-methyl-2,3-bis(4-methylphenyl)propan-1-amine

C18H23N — CID 79437244

IUPACN-methyl-2,3-bis(4-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H23N/c1-14-4-8-16(9-5-14)12-18(13-19-3)17-10-6-15(2)7-11-17/h4-11,18-19H,12-13H2,1-3H3
InChIKeyVYVDIGVSMAMCDB-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.85
Rot. Bonds5

About N-methyl-2,3-bis(4-methylphenyl)propan-1-amine

N-methyl-2,3-bis(4-methylphenyl)propan-1-amine (PubChem CID 79437244) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-methyl-2,3-bis(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2,3-bis(4-methylphenyl)propan-1-amine
PubChem CID79437244
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-methyl-2,3-bis(4-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H23N/c1-14-4-8-16(9-5-14)12-18(13-19-3)17-10-6-15(2)7-11-17/h4-11,18-19H,12-13H2,1-3H3
InChIKeyVYVDIGVSMAMCDB-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-(4-methylphenyl)butan-1-amine
CID 64984808
N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688
N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442006
3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 79430417
3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 103984749
N-methyl-2-(4-methylphenyl)pent-4-en-1-amine
CID 154930772
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154
3,4-bis(4-methylphenyl)butane-1-thiol
CID 175037833
3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
CID 65430220
2-(4-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441486
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3-bis(4-methylphenyl)propan-1-amine?
The IUPAC name of N-methyl-2,3-bis(4-methylphenyl)propan-1-amine (CID 79437244) is N-methyl-2,3-bis(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-methyl-2,3-bis(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-methyl-2,3-bis(4-methylphenyl)propan-1-amine is CNCC(Cc1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of N-methyl-2,3-bis(4-methylphenyl)propan-1-amine?
The InChIKey is VYVDIGVSMAMCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14-4-8-16(9-5-14)12-18(13-19-3)17-10-6-15(2)7-11-17/h4-11,18-19H,12-13H2,1-3H3.
What are the key properties of N-methyl-2,3-bis(4-methylphenyl)propan-1-amine?
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3-bis(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 79437244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).