1-(4-bromophenyl)propan-1-amine;hydrochloride

C9H13BrClN — CID 43810652

IUPAC1-(4-bromophenyl)propan-1-amine;hydrochloride
SMILESCCC(N)c1ccc(Br)cc1.Cl
InChIInChI=1S/C9H12BrN.ClH/c1-2-9(11)7-3-5-8(10)6-4-7;/h3-6,9H,2,11H2,1H3;1H
InChIKeyKTHQPQZHRFCWEX-UHFFFAOYSA-N
MW250.57 g/mol
LogP3.28
Rot. Bonds2

About 1-(4-bromophenyl)propan-1-amine;hydrochloride

1-(4-bromophenyl)propan-1-amine;hydrochloride (PubChem CID 43810652) has the molecular formula C9H13BrClN and a molecular weight of 250.57 g/mol. Its IUPAC name is 1-(4-bromophenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)propan-1-amine;hydrochloride
PubChem CID43810652
Molecular FormulaC9H13BrClN
Molecular Weight250.57 g/mol
Exact Mass248.99
IUPAC Name1-(4-bromophenyl)propan-1-amine;hydrochloride
SMILESCCC(N)c1ccc(Br)cc1.Cl
InChIInChI=1S/C9H12BrN.ClH/c1-2-9(11)7-3-5-8(10)6-4-7;/h3-6,9H,2,11H2,1H3;1H
InChIKeyKTHQPQZHRFCWEX-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.57
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)propan-1-amine;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)propan-1-amine;hydrochloride (CID 43810652) is 1-(4-bromophenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)propan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)propan-1-amine;hydrochloride is CCC(N)c1ccc(Br)cc1.Cl.
What is the InChIKey of 1-(4-bromophenyl)propan-1-amine;hydrochloride?
The InChIKey is KTHQPQZHRFCWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN.ClH/c1-2-9(11)7-3-5-8(10)6-4-7;/h3-6,9H,2,11H2,1H3;1H.
What are the key properties of 1-(4-bromophenyl)propan-1-amine;hydrochloride?
1-(4-bromophenyl)propan-1-amine;hydrochloride has a molecular weight of 250.57 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 43810652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).