N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine

C18H23N — CID 105408285

IUPACN-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H23N/c1-5-19-12-16-7-6-15(4)18(11-16)17-9-13(2)8-14(3)10-17/h6-11,19H,5,12H2,1-4H3
InChIKeyZLSLHUVDUCXJGT-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.39
Rot. Bonds4

About N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine

N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine (PubChem CID 105408285) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
PubChem CID105408285
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H23N/c1-5-19-12-16-7-6-15(4)18(11-16)17-9-13(2)8-14(3)10-17/h6-11,19H,5,12H2,1-4H3
InChIKeyZLSLHUVDUCXJGT-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 105408911
N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 105408935
N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 105408643
N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105409944
N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408635
N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 64985239
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine
CID 105409957
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine
CID 105409491
N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408656
N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine
CID 115375063

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine (CID 105408285) is N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine is CCNCc1ccc(C)c(-c2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine?
The InChIKey is ZLSLHUVDUCXJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-5-19-12-16-7-6-15(4)18(11-16)17-9-13(2)8-14(3)10-17/h6-11,19H,5,12H2,1-4H3.
What are the key properties of N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine?
N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 105408285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).