1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine

C14H20BrFN2 — CID 43266968

IUPAC1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
SMILESCN(C1CCCC1)C(CN)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H20BrFN2/c1-18(11-4-2-3-5-11)14(9-17)10-6-7-13(16)12(15)8-10/h6-8,11,14H,2-5,9,17H2,1H3
InChIKeyJAGKEXGIZFCTPX-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.46
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine

1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine (PubChem CID 43266968) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
PubChem CID43266968
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
SMILESCN(C1CCCC1)C(CN)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H20BrFN2/c1-18(11-4-2-3-5-11)14(9-17)10-6-7-13(16)12(15)8-10/h6-8,11,14H,2-5,9,17H2,1H3
InChIKeyJAGKEXGIZFCTPX-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610904
N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 16783993
1-(3-bromo-4-fluorophenyl)-N-cyclohexyl-N-ethylethane-1,2-diamine
CID 43180412
1-(3-bromo-4-fluorophenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 55250020
1-(3-bromo-4-fluorophenyl)-N-(cyclobutylmethyl)-N-methylethane-1,2-diamine
CID 62860214
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524228
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
CID 43613871
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172117
N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 43613899
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983958

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine (CID 43266968) is 1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine is CN(C1CCCC1)C(CN)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine?
The InChIKey is JAGKEXGIZFCTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-18(11-4-2-3-5-11)14(9-17)10-6-7-13(16)12(15)8-10/h6-8,11,14H,2-5,9,17H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine?
1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine has a molecular weight of 315.23 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 43266968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).