(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride

C11H11BrClNS — CID 171218747

IUPAC(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1cccc(Br)c1
InChIInChI=1S/C11H10BrNS.ClH/c12-10-3-1-2-8(6-10)11(13)9-4-5-14-7-9;/h1-7,11H,13H2;1H/t11-;/m1./s1
InChIKeyVVXWAJRPOVLIGY-RFVHGSKJSA-N
MW304.64 g/mol
LogP3.98
Rot. Bonds2

About (R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride

(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171218747) has the molecular formula C11H11BrClNS and a molecular weight of 304.64 g/mol. Its IUPAC name is (R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171218747
Molecular FormulaC11H11BrClNS
Molecular Weight304.64 g/mol
Exact Mass302.95
IUPAC Name(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1cccc(Br)c1
InChIInChI=1S/C11H10BrNS.ClH/c12-10-3-1-2-8(6-10)11(13)9-4-5-14-7-9;/h1-7,11H,13H2;1H/t11-;/m1./s1
InChIKeyVVXWAJRPOVLIGY-RFVHGSKJSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.64
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(3-bromophenyl)-thiophen-3-ylmethanamine
CID 171199224
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199158
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674
(R)-(5-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218200
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162
(S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine
CID 171203449
(3-propylphenyl)-thiophen-3-ylmethanamine
CID 116543884

Frequently Asked Questions

What is the IUPAC name of (R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171218747) is (R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@@H](c1ccsc1)c1cccc(Br)c1.
What is the InChIKey of (R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is VVXWAJRPOVLIGY-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H10BrNS.ClH/c12-10-3-1-2-8(6-10)11(13)9-4-5-14-7-9;/h1-7,11H,13H2;1H/t11-;/m1./s1.
What are the key properties of (R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride?
(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 304.64 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171218747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).