1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

C17H16BrClFN — CID 105398891

IUPAC1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1cc(Cl)c(Br)cc1F)C1CC1c1ccccc1
InChIInChI=1S/C17H16BrClFN/c1-21-17(13-8-15(19)14(18)9-16(13)20)12-7-11(12)10-5-3-2-4-6-10/h2-6,8-9,11-12,17,21H,7H2,1H3
InChIKeyPRFWYGXEBSNQJH-UHFFFAOYSA-N
MW368.68 g/mol
LogP5.31
Rot. Bonds4

About 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (PubChem CID 105398891) has the molecular formula C17H16BrClFN and a molecular weight of 368.68 g/mol. Its IUPAC name is 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
PubChem CID105398891
Molecular FormulaC17H16BrClFN
Molecular Weight368.68 g/mol
Exact Mass367.01
IUPAC Name1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1cc(Cl)c(Br)cc1F)C1CC1c1ccccc1
InChIInChI=1S/C17H16BrClFN/c1-21-17(13-8-15(19)14(18)9-16(13)20)12-7-11(12)10-5-3-2-4-6-10/h2-6,8-9,11-12,17,21H,7H2,1H3
InChIKeyPRFWYGXEBSNQJH-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052519
N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115855352
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517836
1-(3,5-difluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517417
1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052707
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105189078
[(2-chloro-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341508
N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052687
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052597
N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517490
1-(4-bromo-5-chloro-2-fluorophenyl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 105398705
N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052491

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (CID 105398891) is 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is CNC(c1cc(Cl)c(Br)cc1F)C1CC1c1ccccc1.
What is the InChIKey of 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The InChIKey is PRFWYGXEBSNQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClFN/c1-21-17(13-8-15(19)14(18)9-16(13)20)12-7-11(12)10-5-3-2-4-6-10/h2-6,8-9,11-12,17,21H,7H2,1H3.
What are the key properties of 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine has a molecular weight of 368.68 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 105398891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).