5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline

C17H22N2 — CID 62003419

IUPAC5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline
SMILESCCc1ccc(N(C)Cc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C17H22N2/c1-4-14-7-9-16(10-8-14)19(3)12-15-6-5-13(2)17(18)11-15/h5-11H,4,12,18H2,1-3H3
InChIKeyQTXFNDRRXOJEEX-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.78
Rot. Bonds4

About 5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline

5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline (PubChem CID 62003419) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline
PubChem CID62003419
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline
SMILESCCc1ccc(N(C)Cc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C17H22N2/c1-4-14-7-9-16(10-8-14)19(3)12-15-6-5-13(2)17(18)11-15/h5-11H,4,12,18H2,1-3H3
InChIKeyQTXFNDRRXOJEEX-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine
CID 55130362
5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62003414
5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359
4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
CID 81273319
5-(4-ethylphenyl)-2-methylaniline
CID 61025757
4-[(N-methylanilino)methyl]benzene-1,2-diamine
CID 82183980
5-bromo-2-[(4-ethyl-N-methylanilino)methyl]aniline
CID 79712794
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43272233
1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone
CID 104612404
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
CID 106785439
3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline
CID 62002562
N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline
CID 62435627

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline?
The IUPAC name of 5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline (CID 62003419) is 5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline.
What is the SMILES notation for 5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline?
The canonical SMILES for 5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline is CCc1ccc(N(C)Cc2ccc(C)c(N)c2)cc1.
What is the InChIKey of 5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline?
The InChIKey is QTXFNDRRXOJEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-14-7-9-16(10-8-14)19(3)12-15-6-5-13(2)17(18)11-15/h5-11H,4,12,18H2,1-3H3.
What are the key properties of 5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline?
5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline is sourced from PubChem (CID 62003419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).