1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride

C11H17BrClN — CID 137347003

IUPAC1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride
SMILESCC(C)c1cc(Br)cc(C(C)N)c1.Cl
InChIInChI=1S/C11H16BrN.ClH/c1-7(2)9-4-10(8(3)13)6-11(12)5-9;/h4-8H,13H2,1-3H3;1H
InChIKeyDTYOSBFAYHCWFB-UHFFFAOYSA-N
MW278.62 g/mol
LogP4.01
Rot. Bonds2

About 1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride

1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride (PubChem CID 137347003) has the molecular formula C11H17BrClN and a molecular weight of 278.62 g/mol. Its IUPAC name is 1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride
PubChem CID137347003
Molecular FormulaC11H17BrClN
Molecular Weight278.62 g/mol
Exact Mass277.02
IUPAC Name1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride
SMILESCC(C)c1cc(Br)cc(C(C)N)c1.Cl
InChIInChI=1S/C11H16BrN.ClH/c1-7(2)9-4-10(8(3)13)6-11(12)5-9;/h4-8H,13H2,1-3H3;1H
InChIKeyDTYOSBFAYHCWFB-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
1-(3,5-dibromophenyl)ethanamine
CID 23147757
1-(3,4,5-tribromophenyl)ethanamine
CID 130135537
(1R)-1-(3-bromo-5-methoxyphenyl)ethanamine
CID 130632981
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride
CID 138110830
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
CID 175757661
CID 175757661
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
CID 175275405
(1R)-1-[3-bromo-5-[(1R)-1-hydroxyethyl]phenyl]ethanol
CID 101105298
1-bromo-3,5-di(propan-2-yl)benzene;tris(1,3-di(propan-2-yl)benzene);3,5-di(propan-2-yl)phenol;methanamine;nitromethane
CID 159316713

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride (CID 137347003) is 1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride is CC(C)c1cc(Br)cc(C(C)N)c1.Cl.
What is the InChIKey of 1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride?
The InChIKey is DTYOSBFAYHCWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN.ClH/c1-7(2)9-4-10(8(3)13)6-11(12)5-9;/h4-8H,13H2,1-3H3;1H.
What are the key properties of 1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride?
1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride has a molecular weight of 278.62 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 137347003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).