N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline

C17H21N — CID 43094074

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H21N/c1-12-5-9-17(10-6-12)18-15(4)16-8-7-13(2)14(3)11-16/h5-11,15,18H,1-4H3
InChIKeyQURVZSFKDKRSPD-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.78
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline

N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline (PubChem CID 43094074) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
PubChem CID43094074
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H21N/c1-12-5-9-17(10-6-12)18-15(4)16-8-7-13(2)14(3)11-16/h5-11,15,18H,1-4H3
InChIKeyQURVZSFKDKRSPD-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43093665
4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline
CID 43093915
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-nitroaniline
CID 63455070
2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile
CID 54886362
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
2-chloro-4-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450867
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methylaniline
CID 43196497
N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline
CID 43192256
N-[3-[1-(3,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43193756
3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107070
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline (CID 43094074) is N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline is Cc1ccc(NC(C)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline?
The InChIKey is QURVZSFKDKRSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12-5-9-17(10-6-12)18-15(4)16-8-7-13(2)14(3)11-16/h5-11,15,18H,1-4H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline?
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline has a molecular weight of 239.36 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline is sourced from PubChem (CID 43094074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).