4-(2-aminoethyl)-N-benzyl-N-ethylaniline

C17H22N2 — CID 63783223

IUPAC4-(2-aminoethyl)-N-benzyl-N-ethylaniline
SMILESCCN(Cc1ccccc1)c1ccc(CCN)cc1
InChIInChI=1S/C17H22N2/c1-2-19(14-16-6-4-3-5-7-16)17-10-8-15(9-11-17)12-13-18/h3-11H,2,12-14,18H2,1H3
InChIKeyKLYQFYLUMMROBA-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.21
Rot. Bonds6

About 4-(2-aminoethyl)-N-benzyl-N-ethylaniline

4-(2-aminoethyl)-N-benzyl-N-ethylaniline (PubChem CID 63783223) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-benzyl-N-ethylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-benzyl-N-ethylaniline
PubChem CID63783223
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-(2-aminoethyl)-N-benzyl-N-ethylaniline
SMILESCCN(Cc1ccccc1)c1ccc(CCN)cc1
InChIInChI=1S/C17H22N2/c1-2-19(14-16-6-4-3-5-7-16)17-10-8-15(9-11-17)12-13-18/h3-11H,2,12-14,18H2,1H3
InChIKeyKLYQFYLUMMROBA-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 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 ≤ 53.21
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

4-(3-aminopropyl)-N,N-dibenzylaniline
CID 173288606
N-benzyl-4-(bromomethyl)-N-ethylaniline
CID 107079787
N,N-diethylethanamine;2-phenylethanamine
CID 67440073
4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 63233710
N-[(4-bromophenyl)methyl]-N-ethylaniline
CID 60683468
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
2-amino-3-[4-[benzyl(ethyl)amino]phenyl]propanoic acid
CID 170880297
N'-[4-(2-aminoethyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102998280
4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine
CID 65476799
azane;2-phenylethanamine
CID 23506485
3-(2-aminoethyl)-N,N-diethylaniline
CID 82402430
N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine
CID 2394003

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-benzyl-N-ethylaniline?
The IUPAC name of 4-(2-aminoethyl)-N-benzyl-N-ethylaniline (CID 63783223) is 4-(2-aminoethyl)-N-benzyl-N-ethylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-benzyl-N-ethylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-benzyl-N-ethylaniline is CCN(Cc1ccccc1)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-benzyl-N-ethylaniline?
The InChIKey is KLYQFYLUMMROBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-19(14-16-6-4-3-5-7-16)17-10-8-15(9-11-17)12-13-18/h3-11H,2,12-14,18H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-benzyl-N-ethylaniline?
4-(2-aminoethyl)-N-benzyl-N-ethylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-benzyl-N-ethylaniline is sourced from PubChem (CID 63783223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).