[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine

C10H10BrF2N — CID 84806909

IUPAC[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine
SMILESNCC1(c2cc(F)c(Br)c(F)c2)CC1
InChIInChI=1S/C10H10BrF2N/c11-9-7(12)3-6(4-8(9)13)10(5-14)1-2-10/h3-4H,1-2,5,14H2
InChIKeyITGMMLLKJBPHIK-UHFFFAOYSA-N
MW262.10 g/mol
LogP2.72
Rot. Bonds2

About [1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine

[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine (PubChem CID 84806909) has the molecular formula C10H10BrF2N and a molecular weight of 262.10 g/mol. Its IUPAC name is [1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine
PubChem CID84806909
Molecular FormulaC10H10BrF2N
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine
SMILESNCC1(c2cc(F)c(Br)c(F)c2)CC1
InChIInChI=1S/C10H10BrF2N/c11-9-7(12)3-6(4-8(9)13)10(5-14)1-2-10/h3-4H,1-2,5,14H2
InChIKeyITGMMLLKJBPHIK-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol
CID 84814384
4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol
CID 84775167
5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117286781
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298894
5-[1-(aminomethyl)cyclopropyl]-2,3-difluorobenzoic acid
CID 117326286
[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine
CID 117492969
5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline
CID 117113164
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117320148
4-[1-(aminomethyl)cyclopentyl]-2,6-difluorobenzoic acid
CID 117390771

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine (CID 84806909) is [1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine is NCC1(c2cc(F)c(Br)c(F)c2)CC1.
What is the InChIKey of [1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine?
The InChIKey is ITGMMLLKJBPHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N/c11-9-7(12)3-6(4-8(9)13)10(5-14)1-2-10/h3-4H,1-2,5,14H2.
What are the key properties of [1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine?
[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine has a molecular weight of 262.10 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine is sourced from PubChem (CID 84806909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).