1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine

C15H25ClN2O — CID 63691060

IUPAC1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine
SMILESCCOCCN(CC)CCC(N)c1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2O/c1-3-18(10-11-19-4-2)9-8-15(17)13-6-5-7-14(16)12-13/h5-7,12,15H,3-4,8-11,17H2,1-2H3
InChIKeyOKMVVLLNPDTASO-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.09
Rot. Bonds9

About 1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine

1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine (PubChem CID 63691060) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine
PubChem CID63691060
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine
SMILESCCOCCN(CC)CCC(N)c1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2O/c1-3-18(10-11-19-4-2)9-8-15(17)13-6-5-7-14(16)12-13/h5-7,12,15H,3-4,8-11,17H2,1-2H3
InChIKeyOKMVVLLNPDTASO-UHFFFAOYSA-N
XLogP3.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.09
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

1-(3-chlorophenyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 55098411
N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine
CID 82942072
1-(3-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401696
N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
CID 55098796
1-(3-chlorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63695739
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625223
1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
CID 103191368
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
CID 79087795
1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63495320
1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol
CID 63692314
1-(3-chlorophenyl)-N'-ethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63483059
1-(3-chlorophenyl)decan-1-amine
CID 63412045

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine (CID 63691060) is 1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine is CCOCCN(CC)CCC(N)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine?
The InChIKey is OKMVVLLNPDTASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-3-18(10-11-19-4-2)9-8-15(17)13-6-5-7-14(16)12-13/h5-7,12,15H,3-4,8-11,17H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine?
1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine has a molecular weight of 284.83 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 63691060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).