3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol

C15H18ClNO3 — CID 78959610

IUPAC3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
SMILESOc1cccc(Cl)c1CNCCCOCc1ccco1
InChIInChI=1S/C15H18ClNO3/c16-14-5-1-6-15(18)13(14)10-17-7-3-8-19-11-12-4-2-9-20-12/h1-2,4-6,9,17-18H,3,7-8,10-11H2
InChIKeyKYFUEGGLPCLAKQ-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.34
Rot. Bonds8

About 3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol

3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol (PubChem CID 78959610) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
PubChem CID78959610
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
SMILESOc1cccc(Cl)c1CNCCCOCc1ccco1
InChIInChI=1S/C15H18ClNO3/c16-14-5-1-6-15(18)13(14)10-17-7-3-8-19-11-12-4-2-9-20-12/h1-2,4-6,9,17-18H,3,7-8,10-11H2
InChIKeyKYFUEGGLPCLAKQ-UHFFFAOYSA-N
XLogP3.34
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 78959669
2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
CID 79832671
N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 79420297
3-chloro-2-[(3-phenoxypropylamino)methyl]phenol
CID 78959809
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
3-(furan-2-ylmethoxy)-N-(1H-indol-4-ylmethyl)propan-1-amine
CID 63000090
3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide
CID 60976249
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
3-(furan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28681171
N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
CID 17451443
N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82940867
3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 54976458

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol (CID 78959610) is 3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol is Oc1cccc(Cl)c1CNCCCOCc1ccco1.
What is the InChIKey of 3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol?
The InChIKey is KYFUEGGLPCLAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-14-5-1-6-15(18)13(14)10-17-7-3-8-19-11-12-4-2-9-20-12/h1-2,4-6,9,17-18H,3,7-8,10-11H2.
What are the key properties of 3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol?
3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol has a molecular weight of 295.77 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol is sourced from PubChem (CID 78959610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).