4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline

C17H22N2 — CID 55237346

IUPAC4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline
SMILESCc1cc(N(C)Cc2ccccc2)ccc1CCN
InChIInChI=1S/C17H22N2/c1-14-12-17(9-8-16(14)10-11-18)19(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13,18H2,1-2H3
InChIKeyJZLVGPMZMRVWBY-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.13
Rot. Bonds5

About 4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline

4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline (PubChem CID 55237346) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline
PubChem CID55237346
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline
SMILESCc1cc(N(C)Cc2ccccc2)ccc1CCN
InChIInChI=1S/C17H22N2/c1-14-12-17(9-8-16(14)10-11-18)19(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13,18H2,1-2H3
InChIKeyJZLVGPMZMRVWBY-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline
CID 63785395
4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline
CID 63784239
4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline
CID 81273880
N'-[4-(2-aminoethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63783958
4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
CID 81273319
4-(2-aminoethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)aniline
CID 112666709
4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784236
4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
CID 63783455
4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline
CID 114238540
4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 63784792
4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline
CID 63786193
4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline
CID 63783395

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline?
The IUPAC name of 4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline (CID 55237346) is 4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline is Cc1cc(N(C)Cc2ccccc2)ccc1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline?
The InChIKey is JZLVGPMZMRVWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14-12-17(9-8-16(14)10-11-18)19(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13,18H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline?
4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.13, 5 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,3-dimethylaniline is sourced from PubChem (CID 55237346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).