1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol

C13H18BrNO — CID 63931838

IUPAC1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2ccccc2Br)CCCC1
InChIInChI=1S/C13H18BrNO/c14-12-6-2-1-5-11(12)9-15-10-13(16)7-3-4-8-13/h1-2,5-6,15-16H,3-4,7-10H2
InChIKeyCVDBXBWSLICOHY-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.84
Rot. Bonds4

About 1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol

1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 63931838) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID63931838
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2ccccc2Br)CCCC1
InChIInChI=1S/C13H18BrNO/c14-12-6-2-1-5-11(12)9-15-10-13(16)7-3-4-8-13/h1-2,5-6,15-16H,3-4,7-10H2
InChIKeyCVDBXBWSLICOHY-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[[(2-bromophenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
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CID 60710694
1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
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2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 112606953
1-[[(2-bromo-4-nitrophenyl)methylamino]methyl]cyclopentan-1-ol
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1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol (CID 63931838) is 1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol is OC1(CNCc2ccccc2Br)CCCC1.
What is the InChIKey of 1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is CVDBXBWSLICOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-12-6-2-1-5-11(12)9-15-10-13(16)7-3-4-8-13/h1-2,5-6,15-16H,3-4,7-10H2.
What are the key properties of 1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol?
1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 284.20 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 63931838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).