3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine

C15H18ClNO2 — CID 170878777

IUPAC3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine
SMILESCc1c(Cl)cccc1OCc1ccc(CCCN)o1
InChIInChI=1S/C15H18ClNO2/c1-11-14(16)5-2-6-15(11)18-10-13-8-7-12(19-13)4-3-9-17/h2,5-8H,3-4,9-10,17H2,1H3
InChIKeyKGNVICUVVULKII-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.71
Rot. Bonds6

About 3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine

3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine (PubChem CID 170878777) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine
PubChem CID170878777
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine
SMILESCc1c(Cl)cccc1OCc1ccc(CCCN)o1
InChIInChI=1S/C15H18ClNO2/c1-11-14(16)5-2-6-15(11)18-10-13-8-7-12(19-13)4-3-9-17/h2,5-8H,3-4,9-10,17H2,1H3
InChIKeyKGNVICUVVULKII-UHFFFAOYSA-N
XLogP3.71
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine 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-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62455058
(E)-3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 19564696
(E)-1-(4-bromothiophen-2-yl)-3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19569588
2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 113277121
ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate
CID 170885417
5-[(2,3-dichlorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63574357
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 170878344
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567
(E)-1-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-(3-ethylsulfanyl-1,2,4-triazol-4-yl)methanimine
CID 19589020
[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62452227
(5E)-5-[[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 19547140
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-chloro-2-methylphenoxy)ethanone
CID 119664301

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine?
The IUPAC name of 3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine (CID 170878777) is 3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine is Cc1c(Cl)cccc1OCc1ccc(CCCN)o1.
What is the InChIKey of 3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine?
The InChIKey is KGNVICUVVULKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-11-14(16)5-2-6-15(11)18-10-13-8-7-12(19-13)4-3-9-17/h2,5-8H,3-4,9-10,17H2,1H3.
What are the key properties of 3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine?
3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine has a molecular weight of 279.77 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine is sourced from PubChem (CID 170878777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).