1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol

C14H15Cl2NO2 — CID 111468634

IUPAC1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol
SMILESCC(O)(CNCc1cccc(Cl)c1Cl)c1ccco1
InChIInChI=1S/C14H15Cl2NO2/c1-14(18,12-6-3-7-19-12)9-17-8-10-4-2-5-11(15)13(10)16/h2-7,17-18H,8-9H2,1H3
InChIKeyPCSBIGVOUOXEQC-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.58
Rot. Bonds5

About 1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol

1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol (PubChem CID 111468634) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol
PubChem CID111468634
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol
SMILESCC(O)(CNCc1cccc(Cl)c1Cl)c1ccco1
InChIInChI=1S/C14H15Cl2NO2/c1-14(18,12-6-3-7-19-12)9-17-8-10-4-2-5-11(15)13(10)16/h2-7,17-18H,8-9H2,1H3
InChIKeyPCSBIGVOUOXEQC-UHFFFAOYSA-N
XLogP3.58
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-2-(furan-2-yl)propan-2-ol
CID 111468654
4-bromo-2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]phenol
CID 111468701
1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol
CID 75387516
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
1-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 121085981
2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
CID 111468637
N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 63451747
1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468690
2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468669
1-[(3-chloro-4-prop-2-enoxyphenyl)methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468776
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol?
The IUPAC name of 1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol (CID 111468634) is 1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol is CC(O)(CNCc1cccc(Cl)c1Cl)c1ccco1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol?
The InChIKey is PCSBIGVOUOXEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-14(18,12-6-3-7-19-12)9-17-8-10-4-2-5-11(15)13(10)16/h2-7,17-18H,8-9H2,1H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol?
1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol has a molecular weight of 300.19 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol is sourced from PubChem (CID 111468634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).