N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine

C15H22BrNO — CID 82825959

IUPACN-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)OCc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-12(10-17-15-4-2-3-5-15)18-11-13-6-8-14(16)9-7-13/h6-9,12,15,17H,2-5,10-11H2,1H3
InChIKeyGAYUMNMSFNPDOU-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.89
Rot. Bonds6

About N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine

N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine (PubChem CID 82825959) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine
PubChem CID82825959
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)OCc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-12(10-17-15-4-2-3-5-15)18-11-13-6-8-14(16)9-7-13/h6-9,12,15,17H,2-5,10-11H2,1H3
InChIKeyGAYUMNMSFNPDOU-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-chlorophenyl)methoxy]propyl]cyclopentanamine
CID 65125616
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
N-(2-ethoxypropyl)cyclooctanamine
CID 115724296
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine
CID 82825259
N-[2-(4-bromo-2-fluorophenoxy)propyl]cyclohexanamine
CID 55092968
N-[2-(3-phenylpropoxy)propyl]cyclopentanamine
CID 62583680
N-[2-(4-propylphenoxy)propyl]cyclohexanamine
CID 63515427
N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62515921
N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine
CID 54797698

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine?
The IUPAC name of N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine (CID 82825959) is N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine.
What is the SMILES notation for N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine?
The canonical SMILES for N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine is CC(CNC1CCCC1)OCc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine?
The InChIKey is GAYUMNMSFNPDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12(10-17-15-4-2-3-5-15)18-11-13-6-8-14(16)9-7-13/h6-9,12,15,17H,2-5,10-11H2,1H3.
What are the key properties of N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine?
N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine has a molecular weight of 312.25 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine is sourced from PubChem (CID 82825959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).