N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine

C13H21ClN2O — CID 79479688

IUPACN-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccc(Cl)cc1)N(C)CCOCCN
InChIInChI=1S/C13H21ClN2O/c1-11(12-3-5-13(14)6-4-12)16(2)8-10-17-9-7-15/h3-6,11H,7-10,15H2,1-2H3
InChIKeyFJHYXQFUTCKLNP-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.31
Rot. Bonds7

About N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine

N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine (PubChem CID 79479688) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine
PubChem CID79479688
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccc(Cl)cc1)N(C)CCOCCN
InChIInChI=1S/C13H21ClN2O/c1-11(12-3-5-13(14)6-4-12)16(2)8-10-17-9-7-15/h3-6,11H,7-10,15H2,1-2H3
InChIKeyFJHYXQFUTCKLNP-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
N-[[4-(aminomethyl)phenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 62978179
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
CID 114285473
N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 81313613
N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 114145294
N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62984575
1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol
CID 55142601
N'-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methylethane-1,2-diamine
CID 62682189
2-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]ethoxy]ethanol
CID 56805727
tert-butyl 3-[1-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115590823
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62983688

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine (CID 79479688) is N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine is CC(c1ccc(Cl)cc1)N(C)CCOCCN.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine?
The InChIKey is FJHYXQFUTCKLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-11(12-3-5-13(14)6-4-12)16(2)8-10-17-9-7-15/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine?
N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine has a molecular weight of 256.78 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 79479688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).