4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline

C16H20N2 — CID 688047

IUPAC4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline
SMILESCc1cc(N)ccc1C(C)c1ccc(N)cc1C
InChIInChI=1S/C16H20N2/c1-10-8-13(17)4-6-15(10)12(3)16-7-5-14(18)9-11(16)2/h4-9,12H,17-18H2,1-3H3
InChIKeyYIZBNZOKVQPEDO-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.62
Rot. Bonds2

About 4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline

4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline (PubChem CID 688047) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline.

Molecular Properties

Compound Name4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline
PubChem CID688047
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline
SMILESCc1cc(N)ccc1C(C)c1ccc(N)cc1C
InChIInChI=1S/C16H20N2/c1-10-8-13(17)4-6-15(10)12(3)16-7-5-14(18)9-11(16)2/h4-9,12H,17-18H2,1-3H3
InChIKeyYIZBNZOKVQPEDO-UHFFFAOYSA-N
XLogP3.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.62
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-[(1R)-1-aminoethyl]-3-methylaniline
CID 55273899
4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline
CID 55275534
4-(1-aminoprop-2-enyl)-3-methylaniline
CID 55283470
1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol
CID 163762352
2-methylbenzene-1,4-diamine;sulfane
CID 174900310
3-methyl-4-(2-methylpropyl)aniline
CID 63889098
1-[1-(2,4-dimethylphenyl)ethyl]-2,3,4-trimethylbenzene
CID 173435517
2,4-dimethyl-1-[1-(2-methylphenyl)ethyl]benzene
CID 54473191
2-(4-amino-2-methylphenyl)-2-phenylacetonitrile
CID 134112838
4-[4-amino-2-(1-phenylethyl)phenyl]-3-methylaniline
CID 89362936
4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline
CID 146198028
4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline
CID 21443876

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline?
The IUPAC name of 4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline (CID 688047) is 4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline.
What is the SMILES notation for 4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline?
The canonical SMILES for 4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline is Cc1cc(N)ccc1C(C)c1ccc(N)cc1C.
What is the InChIKey of 4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline?
The InChIKey is YIZBNZOKVQPEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-10-8-13(17)4-6-15(10)12(3)16-7-5-14(18)9-11(16)2/h4-9,12H,17-18H2,1-3H3.
What are the key properties of 4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline?
4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline has a molecular weight of 240.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline is sourced from PubChem (CID 688047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).