[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol

C13H18BrNO — CID 115246905

IUPAC[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol
SMILESOCC1(CNCc2ccc(Br)cc2)CCC1
InChIInChI=1S/C13H18BrNO/c14-12-4-2-11(3-5-12)8-15-9-13(10-16)6-1-7-13/h2-5,15-16H,1,6-10H2
InChIKeyDZZRZHFWPNCYGX-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.70
Rot. Bonds5

About [1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol

[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol (PubChem CID 115246905) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is [1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol
PubChem CID115246905
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol
SMILESOCC1(CNCc2ccc(Br)cc2)CCC1
InChIInChI=1S/C13H18BrNO/c14-12-4-2-11(3-5-12)8-15-9-13(10-16)6-1-7-13/h2-5,15-16H,1,6-10H2
InChIKeyDZZRZHFWPNCYGX-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
[1-[[(4-cyclopropylphenyl)methylamino]methyl]cyclohexyl]methanol
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[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 103581870
1-[(4-bromophenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618834
[1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
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N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
[1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol
CID 81411910
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
[1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358870
[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol (CID 115246905) is [1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol is OCC1(CNCc2ccc(Br)cc2)CCC1.
What is the InChIKey of [1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol?
The InChIKey is DZZRZHFWPNCYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-12-4-2-11(3-5-12)8-15-9-13(10-16)6-1-7-13/h2-5,15-16H,1,6-10H2.
What are the key properties of [1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol?
[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol has a molecular weight of 284.20 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 115246905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).