1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine

C16H24BrNO2 — CID 64551292

IUPAC1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine
SMILESCOc1ccc(COCC2(N)CCCCCC2)cc1Br
InChIInChI=1S/C16H24BrNO2/c1-19-15-7-6-13(10-14(15)17)11-20-12-16(18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11-12,18H2,1H3
InChIKeyRJPVBXVVCLTBEY-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.03
Rot. Bonds5

About 1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine

1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine (PubChem CID 64551292) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine
PubChem CID64551292
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine
SMILESCOc1ccc(COCC2(N)CCCCCC2)cc1Br
InChIInChI=1S/C16H24BrNO2/c1-19-15-7-6-13(10-14(15)17)11-20-12-16(18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11-12,18H2,1H3
InChIKeyRJPVBXVVCLTBEY-UHFFFAOYSA-N
XLogP4.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dimethoxyphenyl)methoxymethyl]cyclopentan-1-amine
CID 64572667
1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
CID 64571813
[4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol
CID 106938264
N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 115673745
1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
CID 64573531
2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene
CID 82006553
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine
CID 105404480
1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine
CID 64551697
2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846729
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride
CID 119404702

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine (CID 64551292) is 1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine is COc1ccc(COCC2(N)CCCCCC2)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine?
The InChIKey is RJPVBXVVCLTBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-19-15-7-6-13(10-14(15)17)11-20-12-16(18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11-12,18H2,1H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine?
1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine has a molecular weight of 342.28 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine is sourced from PubChem (CID 64551292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).