2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol

C13H18BrNO — CID 115673951

IUPAC2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol
SMILESOCCC1(NCc2ccc(Br)cc2)CCC1
InChIInChI=1S/C13H18BrNO/c14-12-4-2-11(3-5-12)10-15-13(8-9-16)6-1-7-13/h2-5,15-16H,1,6-10H2
InChIKeyBUGSIDHTITWGOU-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.84
Rot. Bonds5

About 2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol

2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol (PubChem CID 115673951) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol
PubChem CID115673951
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol
SMILESOCCC1(NCc2ccc(Br)cc2)CCC1
InChIInChI=1S/C13H18BrNO/c14-12-4-2-11(3-5-12)10-15-13(8-9-16)6-1-7-13/h2-5,15-16H,1,6-10H2
InChIKeyBUGSIDHTITWGOU-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-Bromobenzyl)amino]-2-methyl-1-propanol hydrochloride
CID 2951414
3-Amino-3-(4-bromophenyl)propan-1-ol
CID 24729692
2-(4-Bromophenyl)-2-(methylamino)ethan-1-ol
CID 54775997
(1-(Benzylamino)cyclobutyl)methanol
CID 64759910
2-[(4-Bromobenzyl)amino]-1-butanol hydrochloride
CID 6458793
[4-[(4-Bromo-3-methylphenyl)methylamino]oxan-4-yl]methanol
CID 71984686
2-{[(4-Bromophenyl)methyl]amino}butan-1-ol
CID 4715988
2-((4-Bromobenzyl)amino)ethanol
CID 407985
(3S)-3-amino-3-(4-bromophenyl)propan-1-ol hydrochloride
CID 46738054
5-(4-Bromophenyl)pyrrolidin-3-ol hydrochloride
CID 115051343
2-[[(3-Bromophenyl)methyl]amino]-4-methylpentan-1-ol
CID 6424602
2-[(4-Bromobenzyl)amino]-2-methyl-1-propanol
CID 834068

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol?
The IUPAC name of 2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol (CID 115673951) is 2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol.
What is the SMILES notation for 2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol?
The canonical SMILES for 2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol is OCCC1(NCc2ccc(Br)cc2)CCC1.
What is the InChIKey of 2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol?
The InChIKey is BUGSIDHTITWGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-12-4-2-11(3-5-12)10-15-13(8-9-16)6-1-7-13/h2-5,15-16H,1,6-10H2.
What are the key properties of 2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol?
2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol has a molecular weight of 284.20 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol is sourced from PubChem (CID 115673951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).