1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine

C15H25ClN2 — CID 62979231

IUPAC1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
SMILESCCNC(C)(C)CN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-6-17-15(3,4)11-18(5)12(2)13-7-9-14(16)10-8-13/h7-10,12,17H,6,11H2,1-5H3
InChIKeyIHKQMUQTEAFURW-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.72
Rot. Bonds6

About 1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine

1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 62979231) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
PubChem CID62979231
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
SMILESCCNC(C)(C)CN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-6-17-15(3,4)11-18(5)12(2)13-7-9-14(16)10-8-13/h7-10,12,17H,6,11H2,1-5H3
InChIKeyIHKQMUQTEAFURW-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

N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
CID 114285473
1-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62836356
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62984708
3-[1-(4-chlorophenyl)ethyl-methylamino]-2,2-dimethylpropanal
CID 55140473
N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62983848
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62979943
1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol
CID 55142601
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606722
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
(1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine
CID 138056238
N-[[4-(aminomethyl)phenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 62978179

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine (CID 62979231) is 1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine is CCNC(C)(C)CN(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is IHKQMUQTEAFURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-6-17-15(3,4)11-18(5)12(2)13-7-9-14(16)10-8-13/h7-10,12,17H,6,11H2,1-5H3.
What are the key properties of 1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine?
1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-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-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 62979231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).