1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine

C14H23ClN2O — CID 82947962

IUPAC1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
SMILESCOCCN(C(C)C)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2O/c1-11(2)17(8-9-18-3)14(10-16)12-4-6-13(15)7-5-12/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyJLBWSHLXPRKTBF-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.70
Rot. Bonds7

About 1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine

1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 82947962) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID82947962
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
SMILESCOCCN(C(C)C)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2O/c1-11(2)17(8-9-18-3)14(10-16)12-4-6-13(15)7-5-12/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyJLBWSHLXPRKTBF-UHFFFAOYSA-N
XLogP2.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948358
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 82948289
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948769
1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948577
1-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948862
1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948279
1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82959955
1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83230949
1-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82949237
N,N-bis(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 60709846
1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82949339
1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61429742

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine (CID 82947962) is 1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine is COCCN(C(C)C)C(CN)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is JLBWSHLXPRKTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-11(2)17(8-9-18-3)14(10-16)12-4-6-13(15)7-5-12/h4-7,11,14H,8-10,16H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 270.80 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 82947962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).