1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine

C17H28BrFN2 — CID 79058846

IUPAC1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCNC(Cc1cc(F)ccc1Br)C(CC)(CC)N(C)C
InChIInChI=1S/C17H28BrFN2/c1-6-17(7-2,21(4)5)16(20-8-3)12-13-11-14(19)9-10-15(13)18/h9-11,16,20H,6-8,12H2,1-5H3
InChIKeyVMMWWQRMOREMEH-UHFFFAOYSA-N
MW359.33 g/mol
LogP4.23
Rot. Bonds8

About 1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine

1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine (PubChem CID 79058846) has the molecular formula C17H28BrFN2 and a molecular weight of 359.33 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
PubChem CID79058846
Molecular FormulaC17H28BrFN2
Molecular Weight359.33 g/mol
Exact Mass358.14
IUPAC Name1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCNC(Cc1cc(F)ccc1Br)C(CC)(CC)N(C)C
InChIInChI=1S/C17H28BrFN2/c1-6-17(7-2,21(4)5)16(20-8-3)12-13-11-14(19)9-10-15(13)18/h9-11,16,20H,6-8,12H2,1-5H3
InChIKeyVMMWWQRMOREMEH-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-5-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063287
1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 105406535
1-(2,5-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79064460
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974490
1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62599843
1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053023
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 63418093
1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine
CID 102619050
1-(3-chloro-4-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 103040221
1-(7-bicyclo[4.1.0]heptanyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843516
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62605376
1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79058869

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine (CID 79058846) is 1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine is CCNC(Cc1cc(F)ccc1Br)C(CC)(CC)N(C)C.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The InChIKey is VMMWWQRMOREMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrFN2/c1-6-17(7-2,21(4)5)16(20-8-3)12-13-11-14(19)9-10-15(13)18/h9-11,16,20H,6-8,12H2,1-5H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine has a molecular weight of 359.33 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine is sourced from PubChem (CID 79058846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).