2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride

C10H15BrClNO — CID 86811592

IUPAC2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
SMILESCl.NCC(CO)Cc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO.ClH/c11-10-3-1-2-8(5-10)4-9(6-12)7-13;/h1-3,5,9,13H,4,6-7,12H2;1H
InChIKeyGVLXRJWSGINXFI-UHFFFAOYSA-N
MW280.59 g/mol
LogP1.98
Rot. Bonds4

About 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride

2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride (PubChem CID 86811592) has the molecular formula C10H15BrClNO and a molecular weight of 280.59 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
PubChem CID86811592
Molecular FormulaC10H15BrClNO
Molecular Weight280.59 g/mol
Exact Mass279.00
IUPAC Name2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
SMILESCl.NCC(CO)Cc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO.ClH/c11-10-3-1-2-8(5-10)4-9(6-12)7-13;/h1-3,5,9,13H,4,6-7,12H2;1H
InChIKeyGVLXRJWSGINXFI-UHFFFAOYSA-N
XLogP1.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.59
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582
2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine
CID 104810377
2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol
CID 66059500
2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol
CID 104813182
2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol
CID 83168879
2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66060363
2-[(3-bromophenyl)methyl]heptan-1-amine
CID 63495988
2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 66058873
2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol
CID 66059292
2-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 66057828
4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol
CID 83977179

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride (CID 86811592) is 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride is Cl.NCC(CO)Cc1cccc(Br)c1.
What is the InChIKey of 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride?
The InChIKey is GVLXRJWSGINXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO.ClH/c11-10-3-1-2-8(5-10)4-9(6-12)7-13;/h1-3,5,9,13H,4,6-7,12H2;1H.
What are the key properties of 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride?
2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride has a molecular weight of 280.59 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 86811592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).