5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol

C13H20ClNO2 — CID 113389772

IUPAC5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol
SMILESC[C@@H](N)c1ccc(OCCCCCO)c(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-10(15)11-5-6-13(12(14)9-11)17-8-4-2-3-7-16/h5-6,9-10,16H,2-4,7-8,15H2,1H3/t10-/m1/s1
InChIKeyJBNAQKGFHPJXAK-SNVBAGLBSA-N
MW257.76 g/mol
LogP2.90
Rot. Bonds7

About 5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol

5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol (PubChem CID 113389772) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol
PubChem CID113389772
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol
SMILESC[C@@H](N)c1ccc(OCCCCCO)c(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-10(15)11-5-6-13(12(14)9-11)17-8-4-2-3-7-16/h5-6,9-10,16H,2-4,7-8,15H2,1H3/t10-/m1/s1
InChIKeyJBNAQKGFHPJXAK-SNVBAGLBSA-N
XLogP2.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-hexoxyphenyl)ethanamine
CID 55130353
(1S)-1-[3-chloro-4-(4-methoxybutoxy)phenyl]ethanamine
CID 113436828
6-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702855
6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol
CID 107702850
4-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-1-ol
CID 113389746
1-[3-chloro-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 62912402
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
5-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]pentan-1-ol
CID 55189555
6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol
CID 107702669
(1R)-1-[3-chloro-4-(3-phenylpropoxy)phenyl]ethanamine
CID 63369916
(1R)-1-(3-chloro-4-pent-3-ynoxyphenyl)ethanamine
CID 104805590
6-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]hexan-1-ol
CID 107702513

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol?
The IUPAC name of 5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol (CID 113389772) is 5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol.
What is the SMILES notation for 5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol?
The canonical SMILES for 5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol is C[C@@H](N)c1ccc(OCCCCCO)c(Cl)c1.
What is the InChIKey of 5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol?
The InChIKey is JBNAQKGFHPJXAK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10(15)11-5-6-13(12(14)9-11)17-8-4-2-3-7-16/h5-6,9-10,16H,2-4,7-8,15H2,1H3/t10-/m1/s1.
What are the key properties of 5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol?
5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol is sourced from PubChem (CID 113389772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).