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

C17H21N — CID 114250118

IUPAC4-ethyl-3-methyl-N-(2-phenylethyl)aniline
SMILESCCc1ccc(NCCc2ccccc2)cc1C
InChIInChI=1S/C17H21N/c1-3-16-9-10-17(13-14(16)2)18-12-11-15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3
InChIKeySWABVRHNBXWDIL-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.21
Rot. Bonds5

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

4-ethyl-3-methyl-N-(2-phenylethyl)aniline (PubChem CID 114250118) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-ethyl-3-methyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name4-ethyl-3-methyl-N-(2-phenylethyl)aniline
PubChem CID114250118
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name4-ethyl-3-methyl-N-(2-phenylethyl)aniline
SMILESCCc1ccc(NCCc2ccccc2)cc1C
InChIInChI=1S/C17H21N/c1-3-16-9-10-17(13-14(16)2)18-12-11-15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3
InChIKeySWABVRHNBXWDIL-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

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Related Compounds

3-ethyl-4-methyl-N-(2-phenylethyl)aniline
CID 114250176
4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114250199
2-methyl-4-(2-phenylethylamino)benzonitrile
CID 81273543
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-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234
3-[4-(benzylamino)-2-methylphenyl]propanal
CID 57043573
ethane;N-(2-phenylethyl)aniline
CID 91194556
3,4-diethoxy-N-(2-phenylethyl)aniline
CID 29291848
N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline
CID 114250110
1-[3-(2-phenylethylamino)phenyl]propan-2-one
CID 69386114
3-[4-(benzylamino)-2-methylphenyl]propanoic acid
CID 70074103

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-N-(2-phenylethyl)aniline?
The IUPAC name of 4-ethyl-3-methyl-N-(2-phenylethyl)aniline (CID 114250118) is 4-ethyl-3-methyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for 4-ethyl-3-methyl-N-(2-phenylethyl)aniline?
The canonical SMILES for 4-ethyl-3-methyl-N-(2-phenylethyl)aniline is CCc1ccc(NCCc2ccccc2)cc1C.
What is the InChIKey of 4-ethyl-3-methyl-N-(2-phenylethyl)aniline?
The InChIKey is SWABVRHNBXWDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-3-16-9-10-17(13-14(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 4-ethyl-3-methyl-N-(2-phenylethyl)aniline?
4-ethyl-3-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 4-ethyl-3-methyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 114250118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).