(S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine

C11H13BrFN — CID 131080956

IUPAC(S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine
SMILESCc1cc([C@@H](N)C2CC2)c(Br)cc1F
InChIInChI=1S/C11H13BrFN/c1-6-4-8(9(12)5-10(6)13)11(14)7-2-3-7/h4-5,7,11H,2-3,14H2,1H3/t11-/m0/s1
InChIKeyAXUVKAFBHUPHKX-NSHDSACASA-N
MW258.13 g/mol
LogP3.31
Rot. Bonds2

About (S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine

(S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine (PubChem CID 131080956) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is (S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine
PubChem CID131080956
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name(S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine
SMILESCc1cc([C@@H](N)C2CC2)c(Br)cc1F
InChIInChI=1S/C11H13BrFN/c1-6-4-8(9(12)5-10(6)13)11(14)7-2-3-7/h4-5,7,11H,2-3,14H2,1H3/t11-/m0/s1
InChIKeyAXUVKAFBHUPHKX-NSHDSACASA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300
(R)-(2-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 97290671
(2-bromo-5-fluorophenyl)-cyclopropylmethanamine
CID 71743656
(6-bromo-1,3-benzodioxol-5-yl)-cyclopropylmethanamine
CID 3979653
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine
CID 4661374
(5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
CID 104988213
4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine
CID 116937185
(R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride
CID 171209919
(4-bromo-5-chloro-2-fluorophenyl)-cycloheptylmethanamine
CID 105398660

Frequently Asked Questions

What is the IUPAC name of (S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine?
The IUPAC name of (S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine (CID 131080956) is (S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine.
What is the SMILES notation for (S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine?
The canonical SMILES for (S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine is Cc1cc([C@@H](N)C2CC2)c(Br)cc1F.
What is the InChIKey of (S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine?
The InChIKey is AXUVKAFBHUPHKX-NSHDSACASA-N. The full InChI is InChI=1S/C11H13BrFN/c1-6-4-8(9(12)5-10(6)13)11(14)7-2-3-7/h4-5,7,11H,2-3,14H2,1H3/t11-/m0/s1.
What are the key properties of (S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine?
(S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine has a molecular weight of 258.13 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine is sourced from PubChem (CID 131080956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).