2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol

C17H23ClN2O3 — CID 17214309

IUPAC2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol
SMILESCOc1ccc(-c2ccc(CNCCCNCCO)o2)cc1Cl
InChIInChI=1S/C17H23ClN2O3/c1-22-17-5-3-13(11-15(17)18)16-6-4-14(23-16)12-20-8-2-7-19-9-10-21/h3-6,11,19-21H,2,7-10,12H2,1H3
InChIKeyOYFIYIISYGHXFC-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.67
Rot. Bonds10

About 2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol

2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol (PubChem CID 17214309) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol
PubChem CID17214309
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol
SMILESCOc1ccc(-c2ccc(CNCCCNCCO)o2)cc1Cl
InChIInChI=1S/C17H23ClN2O3/c1-22-17-5-3-13(11-15(17)18)16-6-4-14(23-16)12-20-8-2-7-19-9-10-21/h3-6,11,19-21H,2,7-10,12H2,1H3
InChIKeyOYFIYIISYGHXFC-UHFFFAOYSA-N
XLogP2.67
TPSA66.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4724521
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-phenylethanamine
CID 4725324
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17333054
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526303
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156415
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724459
2-[3-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214305
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17333046
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 163327985

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol?
The IUPAC name of 2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol (CID 17214309) is 2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol.
What is the SMILES notation for 2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol?
The canonical SMILES for 2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol is COc1ccc(-c2ccc(CNCCCNCCO)o2)cc1Cl.
What is the InChIKey of 2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol?
The InChIKey is OYFIYIISYGHXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-22-17-5-3-13(11-15(17)18)16-6-4-14(23-16)12-20-8-2-7-19-9-10-21/h3-6,11,19-21H,2,7-10,12H2,1H3.
What are the key properties of 2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol?
2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol has a molecular weight of 338.84 g/mol, XLogP of 2.67, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol is sourced from PubChem (CID 17214309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).