6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol

C14H22ClNO2 — CID 107702669

IUPAC6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol
SMILESC[C@@H](N)c1cc(Cl)ccc1OCCCCCCO
InChIInChI=1S/C14H22ClNO2/c1-11(16)13-10-12(15)6-7-14(13)18-9-5-3-2-4-8-17/h6-7,10-11,17H,2-5,8-9,16H2,1H3/t11-/m1/s1
InChIKeyGSQDRHBFHNKEHB-LLVKDONJSA-N
MW271.79 g/mol
LogP3.29
Rot. Bonds8

About 6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol

6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol (PubChem CID 107702669) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol
PubChem CID107702669
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol
SMILESC[C@@H](N)c1cc(Cl)ccc1OCCCCCCO
InChIInChI=1S/C14H22ClNO2/c1-11(16)13-10-12(15)6-7-14(13)18-9-5-3-2-4-8-17/h6-7,10-11,17H,2-5,8-9,16H2,1H3/t11-/m1/s1
InChIKeyGSQDRHBFHNKEHB-LLVKDONJSA-N
XLogP3.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.29
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

5-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]pentan-1-ol
CID 55189555
(1R)-1-(5-chloro-2-hexoxyphenyl)ethanamine
CID 78932904
(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine
CID 63366602
6-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]hexan-1-ol
CID 107702679
1-[5-chloro-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471550
1-[5-chloro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 62074214
5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol
CID 113389772
(1R)-1-[5-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 78932807
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol?
The IUPAC name of 6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol (CID 107702669) is 6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol.
What is the SMILES notation for 6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol?
The canonical SMILES for 6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol is C[C@@H](N)c1cc(Cl)ccc1OCCCCCCO.
What is the InChIKey of 6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol?
The InChIKey is GSQDRHBFHNKEHB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-11(16)13-10-12(15)6-7-14(13)18-9-5-3-2-4-8-17/h6-7,10-11,17H,2-5,8-9,16H2,1H3/t11-/m1/s1.
What are the key properties of 6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol?
6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol is sourced from PubChem (CID 107702669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).