(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride

C10H12BrClFN — CID 155487191

IUPAC(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
SMILESCl.NC(c1cc(Br)ccc1F)C1CC1
InChIInChI=1S/C10H11BrFN.ClH/c11-7-3-4-9(12)8(5-7)10(13)6-1-2-6;/h3-6,10H,1-2,13H2;1H
InChIKeyTZLKSCCRAJDNRP-UHFFFAOYSA-N
MW280.57 g/mol
LogP3.42
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride

(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride (PubChem CID 155487191) has the molecular formula C10H12BrClFN and a molecular weight of 280.57 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
PubChem CID155487191
Molecular FormulaC10H12BrClFN
Molecular Weight280.57 g/mol
Exact Mass278.98
IUPAC Name(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
SMILESCl.NC(c1cc(Br)ccc1F)C1CC1
InChIInChI=1S/C10H11BrFN.ClH/c11-7-3-4-9(12)8(5-7)10(13)6-1-2-6;/h3-6,10H,1-2,13H2;1H
InChIKeyTZLKSCCRAJDNRP-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.57
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol
CID 116941875
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 105167450
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
(5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79743119
3-[amino(cyclopropyl)methyl]-4-fluorophenol
CID 55296615
2-[(S)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171253387
(S)-(4-bromo-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239339
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride
CID 171209919
2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol
CID 130715689

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride?
The IUPAC name of (5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride (CID 155487191) is (5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride?
The canonical SMILES for (5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride is Cl.NC(c1cc(Br)ccc1F)C1CC1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride?
The InChIKey is TZLKSCCRAJDNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN.ClH/c11-7-3-4-9(12)8(5-7)10(13)6-1-2-6;/h3-6,10H,1-2,13H2;1H.
What are the key properties of (5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride?
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride has a molecular weight of 280.57 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride is sourced from PubChem (CID 155487191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).