3-[(1S)-1-aminopentyl]-4-bromophenol

C11H16BrNO — CID 171223086

IUPAC3-[(1S)-1-aminopentyl]-4-bromophenol
SMILESCCCC[C@H](N)c1cc(O)ccc1Br
InChIInChI=1S/C11H16BrNO/c1-2-3-4-11(13)9-7-8(14)5-6-10(9)12/h5-7,11,14H,2-4,13H2,1H3/t11-/m0/s1
InChIKeyAJVGZFJGHHVIOS-NSHDSACASA-N
MW258.16 g/mol
LogP3.34
Rot. Bonds4

About 3-[(1S)-1-aminopentyl]-4-bromophenol

3-[(1S)-1-aminopentyl]-4-bromophenol (PubChem CID 171223086) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-[(1S)-1-aminopentyl]-4-bromophenol.

Molecular Properties

Compound Name3-[(1S)-1-aminopentyl]-4-bromophenol
PubChem CID171223086
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-[(1S)-1-aminopentyl]-4-bromophenol
SMILESCCCC[C@H](N)c1cc(O)ccc1Br
InChIInChI=1S/C11H16BrNO/c1-2-3-4-11(13)9-7-8(14)5-6-10(9)12/h5-7,11,14H,2-4,13H2,1H3/t11-/m0/s1
InChIKeyAJVGZFJGHHVIOS-NSHDSACASA-N
XLogP3.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
CID 131075568
3-[(1S)-1-amino-3-fluoropropyl]-4-bromophenol;hydrochloride
CID 171223095
3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol
CID 66515055
(1R)-1-(2-bromo-5-fluorophenyl)pentan-1-amine;hydrochloride
CID 171202646
4-[(1R)-1-aminopentyl]-3-methylphenol
CID 55253511
3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
CID 171203542
(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050
(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171224414
(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanoic acid
CID 130706996
3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride
CID 171203537
3-[(1S)-1-amino-2-methylbutyl]-4-bromophenol
CID 131009992
1-(4-bromothiophen-3-yl)pentan-1-amine
CID 79016546

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminopentyl]-4-bromophenol?
The IUPAC name of 3-[(1S)-1-aminopentyl]-4-bromophenol (CID 171223086) is 3-[(1S)-1-aminopentyl]-4-bromophenol.
What is the SMILES notation for 3-[(1S)-1-aminopentyl]-4-bromophenol?
The canonical SMILES for 3-[(1S)-1-aminopentyl]-4-bromophenol is CCCC[C@H](N)c1cc(O)ccc1Br.
What is the InChIKey of 3-[(1S)-1-aminopentyl]-4-bromophenol?
The InChIKey is AJVGZFJGHHVIOS-NSHDSACASA-N. The full InChI is InChI=1S/C11H16BrNO/c1-2-3-4-11(13)9-7-8(14)5-6-10(9)12/h5-7,11,14H,2-4,13H2,1H3/t11-/m0/s1.
What are the key properties of 3-[(1S)-1-aminopentyl]-4-bromophenol?
3-[(1S)-1-aminopentyl]-4-bromophenol has a molecular weight of 258.16 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminopentyl]-4-bromophenol is sourced from PubChem (CID 171223086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).