N-benzyl-4-(ethylaminomethyl)-N-methylaniline

C17H22N2 — CID 43280663

IUPACN-benzyl-4-(ethylaminomethyl)-N-methylaniline
SMILESCCNCc1ccc(N(C)Cc2ccccc2)cc1
InChIInChI=1S/C17H22N2/c1-3-18-13-15-9-11-17(12-10-15)19(2)14-16-7-5-4-6-8-16/h4-12,18H,3,13-14H2,1-2H3
InChIKeyJCWKXWOGLUGAMB-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.43
Rot. Bonds6

About N-benzyl-4-(ethylaminomethyl)-N-methylaniline

N-benzyl-4-(ethylaminomethyl)-N-methylaniline (PubChem CID 43280663) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-benzyl-4-(ethylaminomethyl)-N-methylaniline.

Molecular Properties

Compound NameN-benzyl-4-(ethylaminomethyl)-N-methylaniline
PubChem CID43280663
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-benzyl-4-(ethylaminomethyl)-N-methylaniline
SMILESCCNCc1ccc(N(C)Cc2ccccc2)cc1
InChIInChI=1S/C17H22N2/c1-3-18-13-15-9-11-17(12-10-15)19(2)14-16-7-5-4-6-8-16/h4-12,18H,3,13-14H2,1-2H3
InChIKeyJCWKXWOGLUGAMB-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-benzylethanamine;tris(yttrium)
CID 158198357
N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline
CID 62435259
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466
4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281928
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
N-benzylethanamine;trimethylsilane
CID 173401135
3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol
CID 95464250
4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline
CID 62436761
3-[4-[benzyl(methyl)amino]phenyl]propanoic acid
CID 82305598
3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea
CID 60543423
aniline;N-benzyl-N-methylaniline
CID 163577424

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(ethylaminomethyl)-N-methylaniline?
The IUPAC name of N-benzyl-4-(ethylaminomethyl)-N-methylaniline (CID 43280663) is N-benzyl-4-(ethylaminomethyl)-N-methylaniline.
What is the SMILES notation for N-benzyl-4-(ethylaminomethyl)-N-methylaniline?
The canonical SMILES for N-benzyl-4-(ethylaminomethyl)-N-methylaniline is CCNCc1ccc(N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(ethylaminomethyl)-N-methylaniline?
The InChIKey is JCWKXWOGLUGAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-18-13-15-9-11-17(12-10-15)19(2)14-16-7-5-4-6-8-16/h4-12,18H,3,13-14H2,1-2H3.
What are the key properties of N-benzyl-4-(ethylaminomethyl)-N-methylaniline?
N-benzyl-4-(ethylaminomethyl)-N-methylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(ethylaminomethyl)-N-methylaniline is sourced from PubChem (CID 43280663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).