N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline

C17H22N2 — CID 62003173

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline
SMILESCCN(Cc1ccccc1CN)c1ccc(C)cc1
InChIInChI=1S/C17H22N2/c1-3-19(17-10-8-14(2)9-11-17)13-16-7-5-4-6-15(16)12-18/h4-11H,3,12-13,18H2,1-2H3
InChIKeyKTDBFBMMHMEDQY-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.48
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline

N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline (PubChem CID 62003173) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline
PubChem CID62003173
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline
SMILESCCN(Cc1ccccc1CN)c1ccc(C)cc1
InChIInChI=1S/C17H22N2/c1-3-19(17-10-8-14(2)9-11-17)13-16-7-5-4-6-15(16)12-18/h4-11H,3,12-13,18H2,1-2H3
InChIKeyKTDBFBMMHMEDQY-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(N-ethyl-4-methylanilino)methyl]-2-fluoroaniline
CID 107347385
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-methylaniline
CID 62435508
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline
CID 102662903
2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol
CID 112616167
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide
CID 81312467
N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771393
2-[(N-ethyl-4-methylanilino)methyl]-4-fluoroaniline
CID 62002385
N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine
CID 62963543
4-[(N-ethyl-4-methylanilino)methyl]-3-fluoroaniline
CID 64768076
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
CID 106875251
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine
CID 63152123

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline (CID 62003173) is N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline is CCN(Cc1ccccc1CN)c1ccc(C)cc1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline?
The InChIKey is KTDBFBMMHMEDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-19(17-10-8-14(2)9-11-17)13-16-7-5-4-6-15(16)12-18/h4-11H,3,12-13,18H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline?
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline is sourced from PubChem (CID 62003173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).