(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine

C12H14BrClFN — CID 107001430

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine
SMILESCC1(C)CC1C(N)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C12H14BrClFN/c1-12(2)5-7(12)11(16)6-3-9(14)8(13)4-10(6)15/h3-4,7,11H,5,16H2,1-2H3
InChIKeyLCBCZYZQQHALDI-UHFFFAOYSA-N
MW306.61 g/mol
LogP4.29
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine

(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine (PubChem CID 107001430) has the molecular formula C12H14BrClFN and a molecular weight of 306.61 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine
PubChem CID107001430
Molecular FormulaC12H14BrClFN
Molecular Weight306.61 g/mol
Exact Mass305.00
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine
SMILESCC1(C)CC1C(N)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C12H14BrClFN/c1-12(2)5-7(12)11(16)6-3-9(14)8(13)4-10(6)15/h3-4,7,11H,5,16H2,1-2H3
InChIKeyLCBCZYZQQHALDI-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.61
LogP ≤ 54.29
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

N-[(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001432
(4-bromo-5-chloro-2-fluorophenyl)-cycloheptylmethanamine
CID 105398660
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001449
(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181881
2-bicyclo[2.2.1]heptanyl-(4-bromo-5-chloro-2-fluorophenyl)methanamine
CID 105398582
1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105398833
(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 105398601
(4-bromo-5-chloro-2-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 105398505
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001396
(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2,2-dimethylcyclopropyl)methanamine
CID 107000925
(2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107000928
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine
CID 105398676

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine (CID 107001430) is (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine is CC1(C)CC1C(N)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine?
The InChIKey is LCBCZYZQQHALDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFN/c1-12(2)5-7(12)11(16)6-3-9(14)8(13)4-10(6)15/h3-4,7,11H,5,16H2,1-2H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine?
(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine has a molecular weight of 306.61 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine is sourced from PubChem (CID 107001430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).