2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine

C13H21ClN2O — CID 62501610

IUPAC2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cccc(Cl)c1CN
InChIInChI=1S/C13H21ClN2O/c1-3-16(4-2)8-9-17-13-7-5-6-12(14)11(13)10-15/h5-7H,3-4,8-10,15H2,1-2H3
InChIKeyBVYFXSAINWLHLC-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.52
Rot. Bonds7

About 2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine

2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine (PubChem CID 62501610) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine
PubChem CID62501610
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cccc(Cl)c1CN
InChIInChI=1S/C13H21ClN2O/c1-3-16(4-2)8-9-17-13-7-5-6-12(14)11(13)10-15/h5-7H,3-4,8-10,15H2,1-2H3
InChIKeyBVYFXSAINWLHLC-UHFFFAOYSA-N
XLogP2.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine
CID 112607689
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine
CID 114318452
6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine
CID 2232650
5-[2-(aminomethyl)-3-chlorophenoxy]pentanenitrile
CID 114318568
[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 113276561
2-[2,3-bis[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine;iodoethane
CID 22114543
[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 113276578
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 114318958
[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 114318333

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine (CID 62501610) is 2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine is CCN(CC)CCOc1cccc(Cl)c1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine?
The InChIKey is BVYFXSAINWLHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-3-16(4-2)8-9-17-13-7-5-6-12(14)11(13)10-15/h5-7H,3-4,8-10,15H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine?
2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine has a molecular weight of 256.78 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 62501610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).