N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C18H28BrClN2O2 — CID 120914924

IUPACN-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCC(CNC1CCCC1C1COCCN1)Oc1ccc(Br)cc1.Cl
InChIInChI=1S/C18H27BrN2O2.ClH/c1-13(23-15-7-5-14(19)6-8-15)11-21-17-4-2-3-16(17)18-12-22-10-9-20-18;/h5-8,13,16-18,20-21H,2-4,9-12H2,1H3;1H
InChIKeyIHZSFPDRWAVCSR-UHFFFAOYSA-N
MW419.79 g/mol
LogP3.38
Rot. Bonds6

About N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120914924) has the molecular formula C18H28BrClN2O2 and a molecular weight of 419.79 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120914924
Molecular FormulaC18H28BrClN2O2
Molecular Weight419.79 g/mol
Exact Mass418.10
IUPAC NameN-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCC(CNC1CCCC1C1COCCN1)Oc1ccc(Br)cc1.Cl
InChIInChI=1S/C18H27BrN2O2.ClH/c1-13(23-15-7-5-14(19)6-8-15)11-21-17-4-2-3-16(17)18-12-22-10-9-20-18;/h5-8,13,16-18,20-21H,2-4,9-12H2,1H3;1H
InChIKeyIHZSFPDRWAVCSR-UHFFFAOYSA-N
XLogP3.38
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.79
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120914924) is N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is CC(CNC1CCCC1C1COCCN1)Oc1ccc(Br)cc1.Cl.
What is the InChIKey of N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is IHZSFPDRWAVCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2.ClH/c1-13(23-15-7-5-14(19)6-8-15)11-21-17-4-2-3-16(17)18-12-22-10-9-20-18;/h5-8,13,16-18,20-21H,2-4,9-12H2,1H3;1H.
What are the key properties of N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 419.79 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120914924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).