4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline

C16H20N2 — CID 22061774

IUPAC4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline
SMILESCCc1cc(Cc2ccc(N)c(C)c2)ccc1N
InChIInChI=1S/C16H20N2/c1-3-14-10-13(5-7-16(14)18)9-12-4-6-15(17)11(2)8-12/h4-8,10H,3,9,17-18H2,1-2H3
InChIKeyMJEKPOXATCIFHK-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.31
Rot. Bonds3

About 4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline

4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline (PubChem CID 22061774) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline
PubChem CID22061774
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline
SMILESCCc1cc(Cc2ccc(N)c(C)c2)ccc1N
InChIInChI=1S/C16H20N2/c1-3-14-10-13(5-7-16(14)18)9-12-4-6-15(17)11(2)8-12/h4-8,10H,3,9,17-18H2,1-2H3
InChIKeyMJEKPOXATCIFHK-UHFFFAOYSA-N
XLogP3.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane
CID 155059275
4-[[4-amino-3-[[3-amino-5-[(3-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]-2-methylaniline
CID 130251815
4-[[4-[14-[4-[(4-amino-3-methylphenyl)methyl]phenyl]tetradecyl]phenyl]methyl]-2-methylaniline
CID 22920596
4-[[4-[16-[4-[(4-amino-3-methylphenyl)methyl]phenyl]hexadecyl]phenyl]methyl]-2-methylaniline
CID 22919944
4-[(2-fluorophenyl)methyl]-2-methylaniline
CID 134448573
4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
CID 68660073
4-(aminomethyl)-2-methylaniline
CID 18727732
4-[[4-amino-3-(2-bromoethyl)phenyl]methyl]-2-(2-bromoethyl)aniline
CID 71434731
4-(chloromethyl)-2-methylaniline
CID 15510059
4-[(4-amino-3,5-diethylphenyl)methyl]-2-ethyl-6-methylaniline;4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[(4-amino-3-ethyl-5-methylphenyl)methyl]-2-ethyl-6-methylaniline
CID 158632790
4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol
CID 59364765
2-[4-[(4-amino-3-methylphenyl)methyl]phenoxy]acetic acid
CID 132531951

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline?
The IUPAC name of 4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline (CID 22061774) is 4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline?
The canonical SMILES for 4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline is CCc1cc(Cc2ccc(N)c(C)c2)ccc1N.
What is the InChIKey of 4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline?
The InChIKey is MJEKPOXATCIFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-14-10-13(5-7-16(14)18)9-12-4-6-15(17)11(2)8-12/h4-8,10H,3,9,17-18H2,1-2H3.
What are the key properties of 4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline?
4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline has a molecular weight of 240.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 22061774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).