5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride

C20H27Cl2NO3 — CID 17211831

IUPAC5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
SMILESCOc1cc(Cl)cc(CNCCCCCO)c1OCc1ccccc1.Cl
InChIInChI=1S/C20H26ClNO3.ClH/c1-24-19-13-18(21)12-17(14-22-10-6-3-7-11-23)20(19)25-15-16-8-4-2-5-9-16;/h2,4-5,8-9,12-13,22-23H,3,6-7,10-11,14-15H2,1H3;1H
InChIKeyODEWCFRBKKTPCN-UHFFFAOYSA-N
MW400.35 g/mol
LogP4.60
Rot. Bonds11

About 5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride

5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride (PubChem CID 17211831) has the molecular formula C20H27Cl2NO3 and a molecular weight of 400.35 g/mol. Its IUPAC name is 5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
PubChem CID17211831
Molecular FormulaC20H27Cl2NO3
Molecular Weight400.35 g/mol
Exact Mass399.14
IUPAC Name5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
SMILESCOc1cc(Cl)cc(CNCCCCCO)c1OCc1ccccc1.Cl
InChIInChI=1S/C20H26ClNO3.ClH/c1-24-19-13-18(21)12-17(14-22-10-6-3-7-11-23)20(19)25-15-16-8-4-2-5-9-16;/h2,4-5,8-9,12-13,22-23H,3,6-7,10-11,14-15H2,1H3;1H
InChIKeyODEWCFRBKKTPCN-UHFFFAOYSA-N
XLogP4.60
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17157734
N'-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215795
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17157533
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210688
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 17208332
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2958913
5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211541
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211455
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158349
6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
CID 107702870
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]heptan-1-amine
CID 17157729

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride?
The IUPAC name of 5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride (CID 17211831) is 5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride.
What is the SMILES notation for 5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride?
The canonical SMILES for 5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride is COc1cc(Cl)cc(CNCCCCCO)c1OCc1ccccc1.Cl.
What is the InChIKey of 5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride?
The InChIKey is ODEWCFRBKKTPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO3.ClH/c1-24-19-13-18(21)12-17(14-22-10-6-3-7-11-23)20(19)25-15-16-8-4-2-5-9-16;/h2,4-5,8-9,12-13,22-23H,3,6-7,10-11,14-15H2,1H3;1H.
What are the key properties of 5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride?
5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride has a molecular weight of 400.35 g/mol, XLogP of 4.60, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride is sourced from PubChem (CID 17211831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).