4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline

C17H22N2 — CID 43458817

IUPAC4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline
SMILESCCN(Cc1ccc(N)cc1)Cc1ccccc1C
InChIInChI=1S/C17H22N2/c1-3-19(12-15-8-10-17(18)11-9-15)13-16-7-5-4-6-14(16)2/h4-11H,3,12-13,18H2,1-2H3
InChIKeyNNMZOEUSDBFNCU-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.60
Rot. Bonds5

About 4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline

4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline (PubChem CID 43458817) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline
PubChem CID43458817
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline
SMILESCCN(Cc1ccc(N)cc1)Cc1ccccc1C
InChIInChI=1S/C17H22N2/c1-3-19(12-15-8-10-17(18)11-9-15)13-16-7-5-4-6-14(16)2/h4-11H,3,12-13,18H2,1-2H3
InChIKeyNNMZOEUSDBFNCU-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Nomifensine
CID 4528
Benzidine
CID 7111
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Leucocrystal Violet
CID 69048
N-Ethyl-N-benzylaniline
CID 7098
4,4'-Dioctyldiphenylamine
CID 7569
4-Dimethylaminostilbene
CID 640024
N,N,N',N'-Tetramethylbenzidine
CID 9702
Phenbenzamine
CID 13751
4,4'-Methylenebis(N-methylaniline)
CID 15735
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline?
The IUPAC name of 4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline (CID 43458817) is 4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline.
What is the SMILES notation for 4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline?
The canonical SMILES for 4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline is CCN(Cc1ccc(N)cc1)Cc1ccccc1C.
What is the InChIKey of 4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline?
The InChIKey is NNMZOEUSDBFNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-19(12-15-8-10-17(18)11-9-15)13-16-7-5-4-6-14(16)2/h4-11H,3,12-13,18H2,1-2H3.
What are the key properties of 4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline?
4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline has a molecular weight of 254.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline is sourced from PubChem (CID 43458817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).