(4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine

C16H21BrClFN2 — CID 106762721

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESNC(c1ccc(Br)c(Cl)c1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H21BrClFN2/c17-12-6-5-11(14(19)13(12)18)15(20)16(7-1-2-8-16)21-9-3-4-10-21/h5-6,15H,1-4,7-10,20H2
InChIKeyZFQYYPUESPMAMS-UHFFFAOYSA-N
MW375.71 g/mol
LogP4.65
Rot. Bonds3

About (4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine

(4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine (PubChem CID 106762721) has the molecular formula C16H21BrClFN2 and a molecular weight of 375.71 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
PubChem CID106762721
Molecular FormulaC16H21BrClFN2
Molecular Weight375.71 g/mol
Exact Mass374.06
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESNC(c1ccc(Br)c(Cl)c1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H21BrClFN2/c17-12-6-5-11(14(19)13(12)18)15(20)16(7-1-2-8-16)21-9-3-4-10-21/h5-6,15H,1-4,7-10,20H2
InChIKeyZFQYYPUESPMAMS-UHFFFAOYSA-N
XLogP4.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.71
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79057699
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 106763019
(2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79058950
2-(azepan-1-yl)-1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
CID 106762702
(4-bromo-3-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 106763038
(4-bromo-3-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191802
1-[(4-bromo-3-chloro-2-fluorophenyl)-hydroxymethyl]cyclohexan-1-ol
CID 106762196
(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79058711
7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
CID 106764465
(3-chlorothiophen-2-yl)-(1-piperidin-1-ylcyclopentyl)methanamine
CID 107359921
1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 106762696
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 106762883

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine (CID 106762721) is (4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine is NC(c1ccc(Br)c(Cl)c1F)C1(N2CCCC2)CCCC1.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The InChIKey is ZFQYYPUESPMAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClFN2/c17-12-6-5-11(14(19)13(12)18)15(20)16(7-1-2-8-16)21-9-3-4-10-21/h5-6,15H,1-4,7-10,20H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
(4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine has a molecular weight of 375.71 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine is sourced from PubChem (CID 106762721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).