2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride

C17H27ClFNO5 — CID 168969888

IUPAC2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride
SMILESCl.NCc1cc(OCCCCCOCCCOCC(=O)O)ccc1F
InChIInChI=1S/C17H26FNO5.ClH/c18-16-6-5-15(11-14(16)12-19)24-10-3-1-2-7-22-8-4-9-23-13-17(20)21;/h5-6,11H,1-4,7-10,12-13,19H2,(H,20,21);1H
InChIKeyZPLBKWPWWDUVHH-UHFFFAOYSA-N
MW379.86 g/mol
LogP2.76
Rot. Bonds14

About 2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride

2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride (PubChem CID 168969888) has the molecular formula C17H27ClFNO5 and a molecular weight of 379.86 g/mol. Its IUPAC name is 2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride
PubChem CID168969888
Molecular FormulaC17H27ClFNO5
Molecular Weight379.86 g/mol
Exact Mass379.16
IUPAC Name2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride
SMILESCl.NCc1cc(OCCCCCOCCCOCC(=O)O)ccc1F
InChIInChI=1S/C17H26FNO5.ClH/c18-16-6-5-15(11-14(16)12-19)24-10-3-1-2-7-22-8-4-9-23-13-17(20)21;/h5-6,11H,1-4,7-10,12-13,19H2,(H,20,21);1H
InChIKeyZPLBKWPWWDUVHH-UHFFFAOYSA-N
XLogP2.76
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;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

2-[3-[5-[3-(aminomethyl)phenoxy]pentoxy]propoxy]acetic acid;hydrochloride
CID 168970123
5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine
CID 82353668
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554
2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid
CID 15307009
[5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 103400813
5-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]pentanoic acid
CID 164592889
2-(12-fluorododecoxy)acetic acid
CID 21195352
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
4-(3-aminopropoxy)-2-fluorobenzoic acid
CID 107675382
2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid
CID 102723879
5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
CID 82353611
S-methyl 2-[3-[3-[3-fluoro-4-(propan-2-ylamino)phenoxy]propoxy]propoxy]ethanethioate
CID 146587612

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride?
The IUPAC name of 2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride (CID 168969888) is 2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride.
What is the SMILES notation for 2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride?
The canonical SMILES for 2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride is Cl.NCc1cc(OCCCCCOCCCOCC(=O)O)ccc1F.
What is the InChIKey of 2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride?
The InChIKey is ZPLBKWPWWDUVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO5.ClH/c18-16-6-5-15(11-14(16)12-19)24-10-3-1-2-7-22-8-4-9-23-13-17(20)21;/h5-6,11H,1-4,7-10,12-13,19H2,(H,20,21);1H.
What are the key properties of 2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride?
2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride has a molecular weight of 379.86 g/mol, XLogP of 2.76, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[3-(aminomethyl)-4-fluorophenoxy]pentoxy]propoxy]acetic acid;hydrochloride is sourced from PubChem (CID 168969888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).