4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline

C17H22N2O — CID 39205636

IUPAC4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(COc2cccc(CCN)c2)cc1
InChIInChI=1S/C17H22N2O/c1-19(2)16-8-6-15(7-9-16)13-20-17-5-3-4-14(12-17)10-11-18/h3-9,12H,10-11,13,18H2,1-2H3
InChIKeyWBLMPUYZDFYJNB-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.83
Rot. Bonds6

About 4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline

4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline (PubChem CID 39205636) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline
PubChem CID39205636
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(COc2cccc(CCN)c2)cc1
InChIInChI=1S/C17H22N2O/c1-19(2)16-8-6-15(7-9-16)13-20-17-5-3-4-14(12-17)10-11-18/h3-9,12H,10-11,13,18H2,1-2H3
InChIKeyWBLMPUYZDFYJNB-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350827
N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 170866457
1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone
CID 39205554
3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine
CID 170867815
3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350828
2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 54930677
5-[[3-(2-aminoethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339062
2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22681607
2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 61482133
2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684
1-phenylmethoxy-3-propylbenzene
CID 58977798
(3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate
CID 6733878

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline (CID 39205636) is 4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline is CN(C)c1ccc(COc2cccc(CCN)c2)cc1.
What is the InChIKey of 4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline?
The InChIKey is WBLMPUYZDFYJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(2)16-8-6-15(7-9-16)13-20-17-5-3-4-14(12-17)10-11-18/h3-9,12H,10-11,13,18H2,1-2H3.
What are the key properties of 4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline?
4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline has a molecular weight of 270.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 39205636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).