(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride

C14H21BrClNO — CID 171226092

IUPAC(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
SMILESCCOc1ccc(Br)cc1[C@@H](N)C1CCCC1.Cl
InChIInChI=1S/C14H20BrNO.ClH/c1-2-17-13-8-7-11(15)9-12(13)14(16)10-5-3-4-6-10;/h7-10,14H,2-6,16H2,1H3;1H/t14-;/m0./s1
InChIKeyUSNRIOYQATUPBP-UQKRIMTDSA-N
MW334.69 g/mol
LogP4.46
Rot. Bonds4

About (S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride

(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride (PubChem CID 171226092) has the molecular formula C14H21BrClNO and a molecular weight of 334.69 g/mol. Its IUPAC name is (S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
PubChem CID171226092
Molecular FormulaC14H21BrClNO
Molecular Weight334.69 g/mol
Exact Mass333.05
IUPAC Name(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
SMILESCCOc1ccc(Br)cc1[C@@H](N)C1CCCC1.Cl
InChIInChI=1S/C14H20BrNO.ClH/c1-2-17-13-8-7-11(15)9-12(13)14(16)10-5-3-4-6-10;/h7-10,14H,2-6,16H2,1H3;1H/t14-;/m0./s1
InChIKeyUSNRIOYQATUPBP-UQKRIMTDSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
CID 171206520
(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
CID 43311323
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
CID 65018902
(1R,2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)-1-cyclobutylethanol
CID 171268602
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine
CID 171208037
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene
CID 63442485
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclobutylmethanamine
CID 171227613
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447

Frequently Asked Questions

What is the IUPAC name of (S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride?
The IUPAC name of (S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride (CID 171226092) is (S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride?
The canonical SMILES for (S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride is CCOc1ccc(Br)cc1[C@@H](N)C1CCCC1.Cl.
What is the InChIKey of (S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride?
The InChIKey is USNRIOYQATUPBP-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H20BrNO.ClH/c1-2-17-13-8-7-11(15)9-12(13)14(16)10-5-3-4-6-10;/h7-10,14H,2-6,16H2,1H3;1H/t14-;/m0./s1.
What are the key properties of (S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride?
(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride has a molecular weight of 334.69 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride is sourced from PubChem (CID 171226092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).