1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

C17H28BrClN2 — CID 82776337

IUPAC1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC(C)c1ccc(Br)cc1Cl)N(C)C
InChIInChI=1S/C17H28BrClN2/c1-6-13(7-2)17(21(4)5)11-20-12(3)15-9-8-14(18)10-16(15)19/h8-10,12-13,17,20H,6-7,11H2,1-5H3
InChIKeyMUIMUADHCHNRCF-UHFFFAOYSA-N
MW375.78 g/mol
LogP5.12
Rot. Bonds8

About 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 82776337) has the molecular formula C17H28BrClN2 and a molecular weight of 375.78 g/mol. Its IUPAC name is 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID82776337
Molecular FormulaC17H28BrClN2
Molecular Weight375.78 g/mol
Exact Mass374.11
IUPAC Name1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC(C)c1ccc(Br)cc1Cl)N(C)C
InChIInChI=1S/C17H28BrClN2/c1-6-13(7-2)17(21(4)5)11-20-12(3)15-9-8-14(18)10-16(15)19/h8-10,12-13,17,20H,6-7,11H2,1-5H3
InChIKeyMUIMUADHCHNRCF-UHFFFAOYSA-N
XLogP5.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.78
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine with MolForge

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Related Compounds

N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine
CID 113477078
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-methylpropanenitrile
CID 82773340
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine
CID 82774515
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460430
1-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43107194
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 82774823
1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43096436
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 82773345
N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine
CID 82773338
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
CID 114979228

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (CID 82776337) is 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNC(C)c1ccc(Br)cc1Cl)N(C)C.
What is the InChIKey of 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is MUIMUADHCHNRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrClN2/c1-6-13(7-2)17(21(4)5)11-20-12(3)15-9-8-14(18)10-16(15)19/h8-10,12-13,17,20H,6-7,11H2,1-5H3.
What are the key properties of 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 375.78 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 82776337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).