N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride

C20H25BrClNO2 — CID 2950311

IUPACN-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
SMILESCOc1cc(CNC2CCCC2)c(Br)cc1OCc1ccccc1.Cl
InChIInChI=1S/C20H24BrNO2.ClH/c1-23-19-11-16(13-22-17-9-5-6-10-17)18(21)12-20(19)24-14-15-7-3-2-4-8-15;/h2-4,7-8,11-12,17,22H,5-6,9-10,13-14H2,1H3;1H
InChIKeyNJFFINHFIQDMOM-UHFFFAOYSA-N
MW426.78 g/mol
LogP5.49
Rot. Bonds7

About N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride

N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride (PubChem CID 2950311) has the molecular formula C20H25BrClNO2 and a molecular weight of 426.78 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
PubChem CID2950311
Molecular FormulaC20H25BrClNO2
Molecular Weight426.78 g/mol
Exact Mass425.08
IUPAC NameN-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
SMILESCOc1cc(CNC2CCCC2)c(Br)cc1OCc1ccccc1.Cl
InChIInChI=1S/C20H24BrNO2.ClH/c1-23-19-11-16(13-22-17-9-5-6-10-17)18(21)12-20(19)24-14-15-7-3-2-4-8-15;/h2-4,7-8,11-12,17,22H,5-6,9-10,13-14H2,1H3;1H
InChIKeyNJFFINHFIQDMOM-UHFFFAOYSA-N
XLogP5.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.78
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{5-Bromo-4-[(butylamino)methyl]-2-methoxyphenoxy}acetamide
CID 1817942
2-{5-Bromo-2-ethoxy-4-[(propylamino)methyl]phenoxy}acetamide
CID 2240591
N-[2-bromo-4-(cyclopentyloxy)-5-methoxybenzyl]cyclopentanamine hydrochloride
CID 2959620
N-[3-bromo-4-(cyclopentyloxy)-5-methoxybenzyl]-2-methyl-1-propanamine hydrochloride
CID 2962375
N-[3-bromo-4-(cyclopentyloxy)-5-methoxybenzyl]-2-phenylethanamine hydrochloride
CID 2962427
N-[3-bromo-4-(cyclopentyloxy)-5-methoxybenzyl]-1-butanamine hydrochloride
CID 2984782
2-[5-bromo-4-({[1-(hydroxymethyl)propyl]amino}methyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 11841956
4-(2-(((6-Bromo-1,3-benzodioxol-5-yl)methyl)amino)ethyl)phenol
CID 290548
N-benzyl-2-{5-bromo-4-[(isobutylamino)methyl]-2-methoxyphenoxy}acetamide
CID 979927
(2-Benzo[1,3]dioxol-5-yl-ethyl)-(2-bromo-4,5-dimethoxy-benzyl)-amine
CID 2055052
N-[2-bromo-4-(cyclopentyloxy)-5-methoxybenzyl]-2-propanamine hydrochloride
CID 2950191
2-{[4-(Benzyloxy)-3-bromo-5-methoxybenzyl]amino}-2-methyl-1-propanol hydrochloride
CID 2951198

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride?
The IUPAC name of N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride (CID 2950311) is N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride.
What is the SMILES notation for N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride?
The canonical SMILES for N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride is COc1cc(CNC2CCCC2)c(Br)cc1OCc1ccccc1.Cl.
What is the InChIKey of N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride?
The InChIKey is NJFFINHFIQDMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2.ClH/c1-23-19-11-16(13-22-17-9-5-6-10-17)18(21)12-20(19)24-14-15-7-3-2-4-8-15;/h2-4,7-8,11-12,17,22H,5-6,9-10,13-14H2,1H3;1H.
What are the key properties of N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride?
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride has a molecular weight of 426.78 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride is sourced from PubChem (CID 2950311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).