7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine

C14H16BrClFN — CID 106764465

IUPAC7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
SMILESNC(c1ccc(Br)c(Cl)c1F)C1C2CCCCC21
InChIInChI=1S/C14H16BrClFN/c15-10-6-5-9(13(17)12(10)16)14(18)11-7-3-1-2-4-8(7)11/h5-8,11,14H,1-4,18H2
InChIKeyMJQQXBXTCDMUAP-UHFFFAOYSA-N
MW332.64 g/mol
LogP4.68
Rot. Bonds2

About 7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine

7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine (PubChem CID 106764465) has the molecular formula C14H16BrClFN and a molecular weight of 332.64 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
PubChem CID106764465
Molecular FormulaC14H16BrClFN
Molecular Weight332.64 g/mol
Exact Mass331.01
IUPAC Name7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
SMILESNC(c1ccc(Br)c(Cl)c1F)C1C2CCCCC21
InChIInChI=1S/C14H16BrClFN/c15-10-6-5-9(13(17)12(10)16)14(18)11-7-3-1-2-4-8(7)11/h5-8,11,14H,1-4,18H2
InChIKeyMJQQXBXTCDMUAP-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.64
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine 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

(4-bromo-3-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191802
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106764925
(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106762496
1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclohexylsulfanylethanamine
CID 106762589
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 106762643
1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
CID 106765072
4-[(4-bromo-3-chloro-2-fluorophenyl)-fluoromethyl]piperidine
CID 106763888
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 106765387
1-(4-bromo-3-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 106764781
2-(azepan-1-yl)-1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
CID 106762702
(4-bromo-3-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 106762721

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine (CID 106764465) is 7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine is NC(c1ccc(Br)c(Cl)c1F)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine?
The InChIKey is MJQQXBXTCDMUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFN/c15-10-6-5-9(13(17)12(10)16)14(18)11-7-3-1-2-4-8(7)11/h5-8,11,14H,1-4,18H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine?
7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine has a molecular weight of 332.64 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 106764465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).