2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol

C14H20BrNOS — CID 114121370

IUPAC2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol
SMILESCCSC1CCCC1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C14H20BrNOS/c1-2-18-14-5-3-4-12(14)16-9-10-6-7-13(17)11(15)8-10/h6-8,12,14,16-17H,2-5,9H2,1H3
InChIKeyIEPHKTDWUKMNKQ-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.92
Rot. Bonds5

About 2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol

2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol (PubChem CID 114121370) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol
PubChem CID114121370
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol
SMILESCCSC1CCCC1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C14H20BrNOS/c1-2-18-14-5-3-4-12(14)16-9-10-6-7-13(17)11(15)8-10/h6-8,12,14,16-17H,2-5,9H2,1H3
InChIKeyIEPHKTDWUKMNKQ-UHFFFAOYSA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121487
N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121381
2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 63045556
N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121479
2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol
CID 64909509
4-[[[(2R)-2-[(3,4-dihydroxyphenyl)methylamino]cyclohexyl]amino]methyl]benzene-1,2-diol
CID 24750954
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103773733
2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol
CID 107416951
4-[[(2,3-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 43179140
N-[(3,4-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701214
2-bromo-4-[(oxolan-2-ylmethylamino)methyl]phenol
CID 60657621
2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429756

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol (CID 114121370) is 2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol is CCSC1CCCC1NCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol?
The InChIKey is IEPHKTDWUKMNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-2-18-14-5-3-4-12(14)16-9-10-6-7-13(17)11(15)8-10/h6-8,12,14,16-17H,2-5,9H2,1H3.
What are the key properties of 2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol?
2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol has a molecular weight of 330.29 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol is sourced from PubChem (CID 114121370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).