(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride

C12H17BrClNO — CID 171206516

IUPAC(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
SMILESCCOc1ccc(Br)cc1[C@H](N)C1CC1.Cl
InChIInChI=1S/C12H16BrNO.ClH/c1-2-15-11-6-5-9(13)7-10(11)12(14)8-3-4-8;/h5-8,12H,2-4,14H2,1H3;1H/t12-;/m1./s1
InChIKeyUCSLPVPXTCYKIT-UTONKHPSSA-N
MW306.63 g/mol
LogP3.68
Rot. Bonds4

About (R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride

(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride (PubChem CID 171206516) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is (R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
PubChem CID171206516
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC Name(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
SMILESCCOc1ccc(Br)cc1[C@H](N)C1CC1.Cl
InChIInChI=1S/C12H16BrNO.ClH/c1-2-15-11-6-5-9(13)7-10(11)12(14)8-3-4-8;/h5-8,12H,2-4,14H2,1H3;1H/t12-;/m1./s1
InChIKeyUCSLPVPXTCYKIT-UTONKHPSSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
CID 171226092
(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
CID 171206520
(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
CID 43311323
4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene
CID 63442485
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
(4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine
CID 4683614
(1R,2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)-1-cyclobutylethanol
CID 171268602
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine
CID 4661374
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine
CID 171227615
cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
CID 65018902
(3S)-3-amino-3-(5-bromo-2-ethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241804

Frequently Asked Questions

What is the IUPAC name of (R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride?
The IUPAC name of (R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride (CID 171206516) is (R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride?
The canonical SMILES for (R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride is CCOc1ccc(Br)cc1[C@H](N)C1CC1.Cl.
What is the InChIKey of (R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride?
The InChIKey is UCSLPVPXTCYKIT-UTONKHPSSA-N. The full InChI is InChI=1S/C12H16BrNO.ClH/c1-2-15-11-6-5-9(13)7-10(11)12(14)8-3-4-8;/h5-8,12H,2-4,14H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride?
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride has a molecular weight of 306.63 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride is sourced from PubChem (CID 171206516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).