2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride

C15H23BrClN — CID 45259923

IUPAC2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride
SMILESCCCN(CCC)C1CC1c1ccccc1Br.Cl
InChIInChI=1S/C15H22BrN.ClH/c1-3-9-17(10-4-2)15-11-13(15)12-7-5-6-8-14(12)16;/h5-8,13,15H,3-4,9-11H2,1-2H3;1H
InChIKeyCHJQWHFQPZBYIY-UHFFFAOYSA-N
MW332.71 g/mol
LogP4.85
Rot. Bonds6

About 2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride

2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride (PubChem CID 45259923) has the molecular formula C15H23BrClN and a molecular weight of 332.71 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride
PubChem CID45259923
Molecular FormulaC15H23BrClN
Molecular Weight332.71 g/mol
Exact Mass331.07
IUPAC Name2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride
SMILESCCCN(CCC)C1CC1c1ccccc1Br.Cl
InChIInChI=1S/C15H22BrN.ClH/c1-3-9-17(10-4-2)15-11-13(15)12-7-5-6-8-14(12)16;/h5-8,13,15H,3-4,9-11H2,1-2H3;1H
InChIKeyCHJQWHFQPZBYIY-UHFFFAOYSA-N
XLogP4.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.71
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride (CID 45259923) is 2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride is CCCN(CCC)C1CC1c1ccccc1Br.Cl.
What is the InChIKey of 2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride?
The InChIKey is CHJQWHFQPZBYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN.ClH/c1-3-9-17(10-4-2)15-11-13(15)12-7-5-6-8-14(12)16;/h5-8,13,15H,3-4,9-11H2,1-2H3;1H.
What are the key properties of 2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride?
2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride has a molecular weight of 332.71 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 45259923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).