5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride

C20H27ClFNO3 — CID 17211553

IUPAC5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride
SMILESCOc1cc(CNCCCCCO)ccc1OCc1ccc(F)cc1.Cl
InChIInChI=1S/C20H26FNO3.ClH/c1-24-20-13-17(14-22-11-3-2-4-12-23)7-10-19(20)25-15-16-5-8-18(21)9-6-16;/h5-10,13,22-23H,2-4,11-12,14-15H2,1H3;1H
InChIKeyKFCUQVUPQQWPGN-UHFFFAOYSA-N
MW383.89 g/mol
LogP4.09
Rot. Bonds11

About 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride

5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride (PubChem CID 17211553) has the molecular formula C20H27ClFNO3 and a molecular weight of 383.89 g/mol. Its IUPAC name is 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride
PubChem CID17211553
Molecular FormulaC20H27ClFNO3
Molecular Weight383.89 g/mol
Exact Mass383.17
IUPAC Name5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride
SMILESCOc1cc(CNCCCCCO)ccc1OCc1ccc(F)cc1.Cl
InChIInChI=1S/C20H26FNO3.ClH/c1-24-20-13-17(14-22-11-3-2-4-12-23)7-10-19(20)25-15-16-5-8-18(21)9-6-16;/h5-10,13,22-23H,2-4,11-12,14-15H2,1H3;1H
InChIKeyKFCUQVUPQQWPGN-UHFFFAOYSA-N
XLogP4.09
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.89
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-1-ol
CID 17206733
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208854
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine;hydrochloride
CID 17293936
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 4715731
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17292580
5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol
CID 66535944
6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol
CID 103924096
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719742
2-(4-chlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17208437
5-[(3,4-diethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211681
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4719473

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride?
The IUPAC name of 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride (CID 17211553) is 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride.
What is the SMILES notation for 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride?
The canonical SMILES for 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride is COc1cc(CNCCCCCO)ccc1OCc1ccc(F)cc1.Cl.
What is the InChIKey of 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride?
The InChIKey is KFCUQVUPQQWPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO3.ClH/c1-24-20-13-17(14-22-11-3-2-4-12-23)7-10-19(20)25-15-16-5-8-18(21)9-6-16;/h5-10,13,22-23H,2-4,11-12,14-15H2,1H3;1H.
What are the key properties of 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride?
5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride has a molecular weight of 383.89 g/mol, XLogP of 4.09, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride is sourced from PubChem (CID 17211553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).