N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine

C16H27ClN2 — CID 62985407

IUPACN-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine
SMILESCCC(C)(CNC)CN(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H27ClN2/c1-6-16(3,11-18-4)12-19(5)13(2)14-8-7-9-15(17)10-14/h7-10,13,18H,6,11-12H2,1-5H3
InChIKeyFGBZGUZSAZNMOP-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.97
Rot. Bonds7

About N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine

N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine (PubChem CID 62985407) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine
PubChem CID62985407
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine
SMILESCCC(C)(CNC)CN(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H27ClN2/c1-6-16(3,11-18-4)12-19(5)13(2)14-8-7-9-15(17)10-14/h7-10,13,18H,6,11-12H2,1-5H3
InChIKeyFGBZGUZSAZNMOP-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494918
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66455428
1-N-[1-(3-chlorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452152
3-[1-(3-chlorophenyl)ethyl-methylamino]-2,2-dimethylpropanal
CID 62984348
4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
CID 79326810
4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 55142410
N'-[1-(3-chlorophenyl)ethyl]-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine
CID 63503143
N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460838
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63503138
N-[1-(3-chlorophenyl)ethyl]-2-(ethylamino)-N,2-dimethylpropanamide
CID 62836468
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine (CID 62985407) is N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine is CCC(C)(CNC)CN(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine?
The InChIKey is FGBZGUZSAZNMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-6-16(3,11-18-4)12-19(5)13(2)14-8-7-9-15(17)10-14/h7-10,13,18H,6,11-12H2,1-5H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine?
N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine has a molecular weight of 282.86 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 62985407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).