5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride

C20H27Cl2NO3 — CID 17211541

IUPAC5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride
SMILESCOc1cccc(CNCCCCCO)c1OCc1ccccc1Cl.Cl
InChIInChI=1S/C20H26ClNO3.ClH/c1-24-19-11-7-9-16(14-22-12-5-2-6-13-23)20(19)25-15-17-8-3-4-10-18(17)21;/h3-4,7-11,22-23H,2,5-6,12-15H2,1H3;1H
InChIKeyGIYZNORLCKBSGA-UHFFFAOYSA-N
MW400.35 g/mol
LogP4.60
Rot. Bonds11

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

5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride (PubChem CID 17211541) has the molecular formula C20H27Cl2NO3 and a molecular weight of 400.35 g/mol. Its IUPAC name is 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride
PubChem CID17211541
Molecular FormulaC20H27Cl2NO3
Molecular Weight400.35 g/mol
Exact Mass399.14
IUPAC Name5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride
SMILESCOc1cccc(CNCCCCCO)c1OCc1ccccc1Cl.Cl
InChIInChI=1S/C20H26ClNO3.ClH/c1-24-19-11-7-9-16(14-22-12-5-2-6-13-23)20(19)25-15-17-8-3-4-10-18(17)21;/h3-4,7-11,22-23H,2,5-6,12-15H2,1H3;1H
InChIKeyGIYZNORLCKBSGA-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

1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208009
5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol
CID 17206697
2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214062
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291687
N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17289767
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]heptan-1-amine
CID 4716879
5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211831
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2951461
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331211
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721442

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride?
The IUPAC name of 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride (CID 17211541) is 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride.
What is the SMILES notation for 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride?
The canonical SMILES for 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride is COc1cccc(CNCCCCCO)c1OCc1ccccc1Cl.Cl.
What is the InChIKey of 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride?
The InChIKey is GIYZNORLCKBSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO3.ClH/c1-24-19-11-7-9-16(14-22-12-5-2-6-13-23)20(19)25-15-17-8-3-4-10-18(17)21;/h3-4,7-11,22-23H,2,5-6,12-15H2,1H3;1H.
What are the key properties of 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride?
5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]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-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride is sourced from PubChem (CID 17211541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).