1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine

C16H27ClN2O2 — CID 82959955

IUPAC1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine
SMILESCCOCCN(CCOCC)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2O2/c1-3-20-11-9-19(10-12-21-4-2)16(13-18)14-5-7-15(17)8-6-14/h5-8,16H,3-4,9-13,18H2,1-2H3
InChIKeyRXSMIKOWKKEZJY-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.71
Rot. Bonds11

About 1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine

1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine (PubChem CID 82959955) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine
PubChem CID82959955
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine
SMILESCCOCCN(CCOCC)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2O2/c1-3-20-11-9-19(10-12-21-4-2)16(13-18)14-5-7-15(17)8-6-14/h5-8,16H,3-4,9-13,18H2,1-2H3
InChIKeyRXSMIKOWKKEZJY-UHFFFAOYSA-N
XLogP2.71
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63695739
1-(4-chlorophenyl)-1-N-(2-ethoxyethyl)-1-N-ethylbutane-1,2-diamine
CID 63696821
1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82947962
N,N-bis(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 60709846
1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 106528666
1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63697349
N,N-bis(2-ethoxyethyl)-1-pyridin-2-ylethane-1,2-diamine
CID 82965174
1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 81145990
1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642868
2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921858
1-(3-bromo-4-fluorophenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 60893474
N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 82965069

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine (CID 82959955) is 1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine is CCOCCN(CCOCC)C(CN)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine?
The InChIKey is RXSMIKOWKKEZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O2/c1-3-20-11-9-19(10-12-21-4-2)16(13-18)14-5-7-15(17)8-6-14/h5-8,16H,3-4,9-13,18H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine?
1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine has a molecular weight of 314.86 g/mol, XLogP of 2.71, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 82959955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).