N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline

C17H21N — CID 91007722

IUPACN,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline
SMILESCNc1cc(C)c(Cc2cccc(C)c2)c(C)c1
InChIInChI=1S/C17H21N/c1-12-6-5-7-15(8-12)11-17-13(2)9-16(18-4)10-14(17)3/h5-10,18H,11H2,1-4H3
InChIKeyJIERJKYBCQSHTE-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.24
Rot. Bonds3

About N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline

N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline (PubChem CID 91007722) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound NameN,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline
PubChem CID91007722
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline
SMILESCNc1cc(C)c(Cc2cccc(C)c2)c(C)c1
InChIInChI=1S/C17H21N/c1-12-6-5-7-15(8-12)11-17-13(2)9-16(18-4)10-14(17)3/h5-10,18H,11H2,1-4H3
InChIKeyJIERJKYBCQSHTE-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,4-dimethylphenyl)methyl]-N-methylaniline
CID 116925863
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
1-ethyl-3-methylbenzene;methanamine
CID 167447790
1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041484
1-iodo-3-[(3-methylphenyl)methyl]benzene
CID 155312038
N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline
CID 116925902
1-bromo-4-[(3-methylphenyl)methyl]benzene
CID 67156138
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
CID 59201849
CID 59201849
1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 103759785
N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine
CID 145495304
N"-[(3-methylphenyl)methyl]methanetriamine
CID 144552123

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline?
The IUPAC name of N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline (CID 91007722) is N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline is CNc1cc(C)c(Cc2cccc(C)c2)c(C)c1.
What is the InChIKey of N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline?
The InChIKey is JIERJKYBCQSHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12-6-5-7-15(8-12)11-17-13(2)9-16(18-4)10-14(17)3/h5-10,18H,11H2,1-4H3.
What are the key properties of N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline?
N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline has a molecular weight of 239.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 91007722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).