1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride

C13H20BrClN2O — CID 170894305

IUPAC1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(Br)ccc1N1CCOCC1.Cl
InChIInChI=1S/C13H19BrN2O.ClH/c1-10(15)8-11-9-12(14)2-3-13(11)16-4-6-17-7-5-16;/h2-3,9-10H,4-8,15H2,1H3;1H
InChIKeyYOLRDAPLCAZAIH-UHFFFAOYSA-N
MW335.67 g/mol
LogP2.60
Rot. Bonds3

About 1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride

1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride (PubChem CID 170894305) has the molecular formula C13H20BrClN2O and a molecular weight of 335.67 g/mol. Its IUPAC name is 1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride
PubChem CID170894305
Molecular FormulaC13H20BrClN2O
Molecular Weight335.67 g/mol
Exact Mass334.04
IUPAC Name1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(Br)ccc1N1CCOCC1.Cl
InChIInChI=1S/C13H19BrN2O.ClH/c1-10(15)8-11-9-12(14)2-3-13(11)16-4-6-17-7-5-16;/h2-3,9-10H,4-8,15H2,1H3;1H
InChIKeyYOLRDAPLCAZAIH-UHFFFAOYSA-N
XLogP2.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.67
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114061978
1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787239
2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone
CID 60907715
1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine
CID 55236797
2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride
CID 119833777
(4-bromo-2-morpholin-4-ylphenyl)methanamine
CID 43364908
1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine
CID 55236414
4-[4-bromo-2-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]morpholine
CID 166094141
4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine
CID 166094486
1-(2,5-dibromophenyl)propan-2-amine
CID 84739331
1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine
CID 62908814
1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
CID 63795228

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride (CID 170894305) is 1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride is CC(N)Cc1cc(Br)ccc1N1CCOCC1.Cl.
What is the InChIKey of 1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride?
The InChIKey is YOLRDAPLCAZAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O.ClH/c1-10(15)8-11-9-12(14)2-3-13(11)16-4-6-17-7-5-16;/h2-3,9-10H,4-8,15H2,1H3;1H.
What are the key properties of 1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride?
1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride has a molecular weight of 335.67 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170894305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).