N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline

C16H20N2 — CID 114250110

IUPACN-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline
SMILESCCc1ccc(NCc2ccccc2N)cc1C
InChIInChI=1S/C16H20N2/c1-3-13-8-9-15(10-12(13)2)18-11-14-6-4-5-7-16(14)17/h4-10,18H,3,11,17H2,1-2H3
InChIKeyXVAGSPOJJZRIAV-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.75
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline

N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline (PubChem CID 114250110) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline
PubChem CID114250110
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline
SMILESCCc1ccc(NCc2ccccc2N)cc1C
InChIInChI=1S/C16H20N2/c1-3-13-8-9-15(10-12(13)2)18-11-14-6-4-5-7-16(14)17/h4-10,18H,3,11,17H2,1-2H3
InChIKeyXVAGSPOJJZRIAV-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-4-methyl-3-nitroaniline
CID 66387666
5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 66387661
4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114078614
4-ethyl-3-methyl-N-(2-phenylethyl)aniline
CID 114250118
N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline
CID 114250109
2-methyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 62881302
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline
CID 114250155
[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 66419817
N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide
CID 66417660
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline (CID 114250110) is N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline is CCc1ccc(NCc2ccccc2N)cc1C.
What is the InChIKey of N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline?
The InChIKey is XVAGSPOJJZRIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-13-8-9-15(10-12(13)2)18-11-14-6-4-5-7-16(14)17/h4-10,18H,3,11,17H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline?
N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline has a molecular weight of 240.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline is sourced from PubChem (CID 114250110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).