5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride

C19H26ClNO2 — CID 17211513

IUPAC5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
SMILESCl.OCCCCCNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H25NO2.ClH/c21-14-6-2-5-13-20-15-17-9-11-19(12-10-17)22-16-18-7-3-1-4-8-18;/h1,3-4,7-12,20-21H,2,5-6,13-16H2;1H
InChIKeyBPTNWXUJAYCTOI-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.94
Rot. Bonds10

About 5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride

5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride (PubChem CID 17211513) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
PubChem CID17211513
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
SMILESCl.OCCCCCNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H25NO2.ClH/c21-14-6-2-5-13-20-15-17-9-11-19(12-10-17)22-16-18-7-3-1-4-8-18;/h1,3-4,7-12,20-21H,2,5-6,13-16H2;1H
InChIKeyBPTNWXUJAYCTOI-UHFFFAOYSA-N
XLogP3.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.94
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

2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol
CID 17211516
N-[(4-phenylmethoxyphenyl)methyl]octan-1-amine;hydrochloride
CID 17331183
5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211517
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
N',N'-dibutyl-N-[(4-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214463
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]heptan-1-amine;hydrochloride
CID 17054378
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
2-methylsulfanyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 60658282
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride
CID 17213255
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride?
The IUPAC name of 5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride (CID 17211513) is 5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride.
What is the SMILES notation for 5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride?
The canonical SMILES for 5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride is Cl.OCCCCCNCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride?
The InChIKey is BPTNWXUJAYCTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2.ClH/c21-14-6-2-5-13-20-15-17-9-11-19(12-10-17)22-16-18-7-3-1-4-8-18;/h1,3-4,7-12,20-21H,2,5-6,13-16H2;1H.
What are the key properties of 5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride?
5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride is sourced from PubChem (CID 17211513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).