N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine

C15H25ClN2O — CID 65125563

IUPACN-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCOCc1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2O/c1-3-18(4-2)10-8-17-9-11-19-13-14-6-5-7-15(16)12-14/h5-7,12,17H,3-4,8-11,13H2,1-2H3
InChIKeyVCPWZCZSGLWFGK-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.79
Rot. Bonds10

About N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine

N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 65125563) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine
PubChem CID65125563
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC NameN-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCOCc1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2O/c1-3-18(4-2)10-8-17-9-11-19-13-14-6-5-7-15(16)12-14/h5-7,12,17H,3-4,8-11,13H2,1-2H3
InChIKeyVCPWZCZSGLWFGK-UHFFFAOYSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 65125757
N-[(3-chlorophenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 4712070
N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
CID 62460949
N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine
CID 65125514
methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate
CID 14496167
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 65125794
N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54896843
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-2-methylguanidine
CID 111176346
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline
CID 82353951
2-[(3-chlorophenyl)methyl]-1-[2-(diethylamino)ethyl]-3-ethylguanidine
CID 111177116

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine (CID 65125563) is N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCCOCc1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is VCPWZCZSGLWFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-3-18(4-2)10-8-17-9-11-19-13-14-6-5-7-15(16)12-14/h5-7,12,17H,3-4,8-11,13H2,1-2H3.
What are the key properties of N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine?
N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 284.83 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 65125563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).