2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride

C11H17BrClNO — CID 6458793

IUPAC2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1ccc(Br)cc1.Cl
InChIInChI=1S/C11H16BrNO.ClH/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9;/h3-6,11,13-14H,2,7-8H2,1H3;1H
InChIKeyAWGYMLRBDZVPRF-UHFFFAOYSA-N
MW294.62 g/mol
LogP2.73
Rot. Bonds5

About 2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride

2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride (PubChem CID 6458793) has the molecular formula C11H17BrClNO and a molecular weight of 294.62 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride
PubChem CID6458793
Molecular FormulaC11H17BrClNO
Molecular Weight294.62 g/mol
Exact Mass293.02
IUPAC Name2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1ccc(Br)cc1.Cl
InChIInChI=1S/C11H16BrNO.ClH/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9;/h3-6,11,13-14H,2,7-8H2,1H3;1H
InChIKeyAWGYMLRBDZVPRF-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.62
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride?
The IUPAC name of 2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride (CID 6458793) is 2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride?
The canonical SMILES for 2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride is CCC(CO)NCc1ccc(Br)cc1.Cl.
What is the InChIKey of 2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride?
The InChIKey is AWGYMLRBDZVPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO.ClH/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9;/h3-6,11,13-14H,2,7-8H2,1H3;1H.
What are the key properties of 2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride?
2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride has a molecular weight of 294.62 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylamino]butan-1-ol;hydrochloride is sourced from PubChem (CID 6458793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).