3-ethyl-4-methyl-N-(2-phenylethyl)aniline

C17H21N — CID 114250176

IUPAC3-ethyl-4-methyl-N-(2-phenylethyl)aniline
SMILESCCc1cc(NCCc2ccccc2)ccc1C
InChIInChI=1S/C17H21N/c1-3-16-13-17(10-9-14(16)2)18-12-11-15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3
InChIKeyWKYIBXKVKTXNMG-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.21
Rot. Bonds5

About 3-ethyl-4-methyl-N-(2-phenylethyl)aniline

3-ethyl-4-methyl-N-(2-phenylethyl)aniline (PubChem CID 114250176) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-ethyl-4-methyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name3-ethyl-4-methyl-N-(2-phenylethyl)aniline
PubChem CID114250176
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name3-ethyl-4-methyl-N-(2-phenylethyl)aniline
SMILESCCc1cc(NCCc2ccccc2)ccc1C
InChIInChI=1S/C17H21N/c1-3-16-13-17(10-9-14(16)2)18-12-11-15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3
InChIKeyWKYIBXKVKTXNMG-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-4-methyl-N-(2-phenylethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-3-methyl-N-(2-phenylethyl)aniline
CID 114250118
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
2-methyl-4-(2-phenylethylamino)benzonitrile
CID 81273543
ethane;N-(2-phenylethyl)aniline
CID 91194556
3,4-diethoxy-N-(2-phenylethyl)aniline
CID 29291848
N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline
CID 114250155
1-[3-(2-phenylethylamino)phenyl]propan-2-one
CID 69386114
4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one
CID 144767974
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
2-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234
2-methyl-N-[4-methyl-3-(2-phenylethylamino)phenyl]propanamide
CID 112839414

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-N-(2-phenylethyl)aniline?
The IUPAC name of 3-ethyl-4-methyl-N-(2-phenylethyl)aniline (CID 114250176) is 3-ethyl-4-methyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for 3-ethyl-4-methyl-N-(2-phenylethyl)aniline?
The canonical SMILES for 3-ethyl-4-methyl-N-(2-phenylethyl)aniline is CCc1cc(NCCc2ccccc2)ccc1C.
What is the InChIKey of 3-ethyl-4-methyl-N-(2-phenylethyl)aniline?
The InChIKey is WKYIBXKVKTXNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-3-16-13-17(10-9-14(16)2)18-12-11-15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3.
What are the key properties of 3-ethyl-4-methyl-N-(2-phenylethyl)aniline?
3-ethyl-4-methyl-N-(2-phenylethyl)aniline has a molecular weight of 239.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 114250176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).