N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine

C17H26BrNO2 — CID 66525622

IUPACN-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine
SMILESCCCOc1cc(Br)c(CNC2CCCC2)cc1OCC
InChIInChI=1S/C17H26BrNO2/c1-3-9-21-17-11-15(18)13(10-16(17)20-4-2)12-19-14-7-5-6-8-14/h10-11,14,19H,3-9,12H2,1-2H3
InChIKeyHFBQPHBZYGBTAN-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.67
Rot. Bonds8

About N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine

N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine (PubChem CID 66525622) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine
PubChem CID66525622
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC NameN-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine
SMILESCCCOc1cc(Br)c(CNC2CCCC2)cc1OCC
InChIInChI=1S/C17H26BrNO2/c1-3-9-21-17-11-15(18)13(10-16(17)20-4-2)12-19-14-7-5-6-8-14/h10-11,14,19H,3-9,12H2,1-2H3
InChIKeyHFBQPHBZYGBTAN-UHFFFAOYSA-N
XLogP4.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine
CID 66535507
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]cycloheptanamine
CID 66532216
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 66532208
N-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 66532982
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclohexanamine
CID 66532864
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cycloheptanamine
CID 66533535
N-[[2-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 66533442
N-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 66532962
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclooctanamine
CID 66533181
N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine
CID 66532386
N-[(3-bromo-4-propoxyphenyl)methyl]cyclooctanamine
CID 29222775
N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclooctanamine
CID 29225030

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine (CID 66525622) is N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine is CCCOc1cc(Br)c(CNC2CCCC2)cc1OCC.
What is the InChIKey of N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine?
The InChIKey is HFBQPHBZYGBTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-3-9-21-17-11-15(18)13(10-16(17)20-4-2)12-19-14-7-5-6-8-14/h10-11,14,19H,3-9,12H2,1-2H3.
What are the key properties of N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine?
N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine has a molecular weight of 356.30 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 66525622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).