3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol

C12H16BrNO — CID 131272939

IUPAC3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol
SMILESN[C@H](c1cc(O)ccc1Br)C1CCCC1
InChIInChI=1S/C12H16BrNO/c13-11-6-5-9(15)7-10(11)12(14)8-3-1-2-4-8/h5-8,12,15H,1-4,14H2/t12-/m0/s1
InChIKeyATRHSGVTVISZNW-LBPRGKRZSA-N
MW270.17 g/mol
LogP3.34
Rot. Bonds2

About 3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol

3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol (PubChem CID 131272939) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol.

Molecular Properties

Compound Name3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol
PubChem CID131272939
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol
SMILESN[C@H](c1cc(O)ccc1Br)C1CCCC1
InChIInChI=1S/C12H16BrNO/c13-11-6-5-9(15)7-10(11)12(14)8-3-1-2-4-8/h5-8,12,15H,1-4,14H2/t12-/m0/s1
InChIKeyATRHSGVTVISZNW-LBPRGKRZSA-N
XLogP3.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
CID 131313230
(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 171224429
4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride
CID 171200758
(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 105079644
4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride
CID 171220298
2-[(S)-amino(cyclopentyl)methyl]-3,6-dibromophenol
CID 131500799
(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672
[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
CID 43825557
(2-bromo-5-fluorophenyl)-cyclopropylmethanamine
CID 71743656
3-[amino(cyclopropyl)methyl]-4-fluorophenol
CID 55296615

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol?
The IUPAC name of 3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol (CID 131272939) is 3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol.
What is the SMILES notation for 3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol?
The canonical SMILES for 3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol is N[C@H](c1cc(O)ccc1Br)C1CCCC1.
What is the InChIKey of 3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol?
The InChIKey is ATRHSGVTVISZNW-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-6-5-9(15)7-10(11)12(14)8-3-1-2-4-8/h5-8,12,15H,1-4,14H2/t12-/m0/s1.
What are the key properties of 3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol?
3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol has a molecular weight of 270.17 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol is sourced from PubChem (CID 131272939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).