1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine

C15H25ClN2 — CID 79056752

IUPAC1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(NC)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-6-18(7-2)15(3,4)14(17-5)12-8-10-13(16)11-9-12/h8-11,14,17H,6-7H2,1-5H3
InChIKeyDXGAXYXLLPAPCL-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.72
Rot. Bonds6

About 1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine

1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 79056752) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
PubChem CID79056752
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(NC)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-6-18(7-2)15(3,4)14(17-5)12-8-10-13(16)11-9-12/h8-11,14,17H,6-7H2,1-5H3
InChIKeyDXGAXYXLLPAPCL-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine
CID 79056403
2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 79047766
1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116949961
1-(3,4-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239288
2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine
CID 116544650
1-N,2-N,2-N-triethyl-2-methyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79046664
2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine
CID 115374759
1,2-bis[1-(4-chlorophenyl)-2,2-dimethylpropyl]hydrazine
CID 13095453
1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79055906
(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 93063130
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 114656580
2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine
CID 114213225

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine (CID 79056752) is 1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine is CCN(CC)C(C)(C)C(NC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is DXGAXYXLLPAPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-6-18(7-2)15(3,4)14(17-5)12-8-10-13(16)11-9-12/h8-11,14,17H,6-7H2,1-5H3.
What are the key properties of 1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 79056752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).