[(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride

C10H13BrClN — CID 44573001

IUPAC[(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C10H12BrN.ClH/c11-9-3-1-7(2-4-9)10-5-8(10)6-12;/h1-4,8,10H,5-6,12H2;1H/t8-,10-;/m1./s1
InChIKeyXYFRNMVFUDZAFV-GHXDPTCOSA-N
MW262.58 g/mol
LogP2.93
Rot. Bonds2

About [(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 44573001) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is [(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID44573001
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name[(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C10H12BrN.ClH/c11-9-3-1-7(2-4-9)10-5-8(10)6-12;/h1-4,8,10H,5-6,12H2;1H/t8-,10-;/m1./s1
InChIKeyXYFRNMVFUDZAFV-GHXDPTCOSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-alpha-methylbenzeneethanamine
CID 205668
1-(4-Bromophenyl)ethylamine
CID 91175
p-Bromophenethylamine
CID 533915
2-Bromophenethylamine
CID 2734091
3-Bromophenethylamine
CID 7021736
((1S,2S)-2-phenylcyclopropyl)methanamine hydrochloride
CID 44572656
1-Bromo-4-cyclopropylbenzene
CID 12221355
1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]methanamine hydrochloride, trans
CID 44572750
(R)-4-bromo-alpha-methylbenzylamine
CID 853000
[2-(4-Bromophenyl)ethyl](methyl)amine
CID 18367556
rac-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine hydrochloride
CID 56673910
rac-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine hydrochloride
CID 56683886

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride (CID 44573001) is [(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride is Cl.NC[C@H]1C[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of [(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is XYFRNMVFUDZAFV-GHXDPTCOSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c11-9-3-1-7(2-4-9)10-5-8(10)6-12;/h1-4,8,10H,5-6,12H2;1H/t8-,10-;/m1./s1.
What are the key properties of [(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 44573001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).