(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride

C10H11BrClF2N — CID 171226288

IUPAC(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
SMILESCl.N[C@H](c1c(F)cc(Br)cc1F)C1CC1
InChIInChI=1S/C10H10BrF2N.ClH/c11-6-3-7(12)9(8(13)4-6)10(14)5-1-2-5;/h3-5,10H,1-2,14H2;1H/t10-;/m0./s1
InChIKeyJWUCLKBYEUBHHB-PPHPATTJSA-N
MW298.56 g/mol
LogP3.56
Rot. Bonds2

About (S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride

(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride (PubChem CID 171226288) has the molecular formula C10H11BrClF2N and a molecular weight of 298.56 g/mol. Its IUPAC name is (S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
PubChem CID171226288
Molecular FormulaC10H11BrClF2N
Molecular Weight298.56 g/mol
Exact Mass296.97
IUPAC Name(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
SMILESCl.N[C@H](c1c(F)cc(Br)cc1F)C1CC1
InChIInChI=1S/C10H10BrF2N.ClH/c11-6-3-7(12)9(8(13)4-6)10(14)5-1-2-5;/h3-5,10H,1-2,14H2;1H/t10-;/m0./s1
InChIKeyJWUCLKBYEUBHHB-PPHPATTJSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171206717
(4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989591
(S)-(4-chloro-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171230540
2-[(S)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171253387
2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol
CID 130715689
(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992584
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
(1S,2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171262994
(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine
CID 28501633
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
(R)-piperidin-4-yl-(2,4,6-trifluorophenyl)methanamine;hydrochloride
CID 171314352
1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine
CID 115863908

Frequently Asked Questions

What is the IUPAC name of (S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride?
The IUPAC name of (S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride (CID 171226288) is (S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride?
The canonical SMILES for (S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride is Cl.N[C@H](c1c(F)cc(Br)cc1F)C1CC1.
What is the InChIKey of (S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride?
The InChIKey is JWUCLKBYEUBHHB-PPHPATTJSA-N. The full InChI is InChI=1S/C10H10BrF2N.ClH/c11-6-3-7(12)9(8(13)4-6)10(14)5-1-2-5;/h3-5,10H,1-2,14H2;1H/t10-;/m0./s1.
What are the key properties of (S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride?
(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride has a molecular weight of 298.56 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride is sourced from PubChem (CID 171226288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).