1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol

C16H24BrNO2 — CID 60969780

IUPAC1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
SMILESCOc1ccc(Br)c(CNCC2(O)CCCCCC2)c1
InChIInChI=1S/C16H24BrNO2/c1-20-14-6-7-15(17)13(10-14)11-18-12-16(19)8-4-2-3-5-9-16/h6-7,10,18-19H,2-5,8-9,11-12H2,1H3
InChIKeyOWXVZTLHLKSBPT-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.63
Rot. Bonds5

About 1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol

1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol (PubChem CID 60969780) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
PubChem CID60969780
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
SMILESCOc1ccc(Br)c(CNCC2(O)CCCCCC2)c1
InChIInChI=1S/C16H24BrNO2/c1-20-14-6-7-15(17)13(10-14)11-18-12-16(19)8-4-2-3-5-9-16/h6-7,10,18-19H,2-5,8-9,11-12H2,1H3
InChIKeyOWXVZTLHLKSBPT-UHFFFAOYSA-N
XLogP3.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 63362793
2-[1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750274
1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 111114436
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931838
N-[(2-bromo-5-methoxyphenyl)methyl]prop-2-yn-1-amine
CID 65323575
2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449739
N-[(2-bromo-5-methoxyphenyl)methyl]but-3-yn-1-amine
CID 65323558
3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 66004445
4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103923735
1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621533
1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 60897688

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol (CID 60969780) is 1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol is COc1ccc(Br)c(CNCC2(O)CCCCCC2)c1.
What is the InChIKey of 1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol?
The InChIKey is OWXVZTLHLKSBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-20-14-6-7-15(17)13(10-14)11-18-12-16(19)8-4-2-3-5-9-16/h6-7,10,18-19H,2-5,8-9,11-12H2,1H3.
What are the key properties of 1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol?
1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol has a molecular weight of 342.28 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 60969780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).