3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline

C17H22N2 — CID 82131996

IUPAC3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
SMILESCCN(Cc1cc(N)ccc1C)c1cccc(C)c1
InChIInChI=1S/C17H22N2/c1-4-19(17-7-5-6-13(2)10-17)12-15-11-16(18)9-8-14(15)3/h5-11H,4,12,18H2,1-3H3
InChIKeyUJUMQGKUPDGUIA-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.91
Rot. Bonds4

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

3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline (PubChem CID 82131996) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline.

Molecular Properties

Compound Name3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
PubChem CID82131996
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
SMILESCCN(Cc1cc(N)ccc1C)c1cccc(C)c1
InChIInChI=1S/C17H22N2/c1-4-19(17-7-5-6-13(2)10-17)12-15-11-16(18)9-8-14(15)3/h5-11H,4,12,18H2,1-3H3
InChIKeyUJUMQGKUPDGUIA-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
CID 61076053
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline
CID 63330884
3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 39348291
4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol
CID 82981488
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
4-[(N-ethyl-4-methylanilino)methyl]-3-fluoroaniline
CID 64768076
4-methyl-3-[(N-methylanilino)methyl]aniline
CID 82128220
4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646
3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 107306757
3-[(N-ethyl-3-methylanilino)methyl]-2-fluorobenzonitrile
CID 107114931

Frequently Asked Questions

What is the IUPAC name of 3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline?
The IUPAC name of 3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline (CID 82131996) is 3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline.
What is the SMILES notation for 3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline?
The canonical SMILES for 3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline is CCN(Cc1cc(N)ccc1C)c1cccc(C)c1.
What is the InChIKey of 3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline?
The InChIKey is UJUMQGKUPDGUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-19(17-7-5-6-13(2)10-17)12-15-11-16(18)9-8-14(15)3/h5-11H,4,12,18H2,1-3H3.
What are the key properties of 3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline?
3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline is sourced from PubChem (CID 82131996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).