1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol

C17H22ClNO3 — CID 110898142

IUPAC1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCC(c1cccc(Cl)c1)N(C)CC(O)COCc1ccco1
InChIInChI=1S/C17H22ClNO3/c1-13(14-5-3-6-15(18)9-14)19(2)10-16(20)11-21-12-17-7-4-8-22-17/h3-9,13,16,20H,10-12H2,1-2H3
InChIKeyDRKNXGRRELKSAT-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.50
Rot. Bonds8

About 1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol

1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 110898142) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID110898142
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCC(c1cccc(Cl)c1)N(C)CC(O)COCc1ccco1
InChIInChI=1S/C17H22ClNO3/c1-13(14-5-3-6-15(18)9-14)19(2)10-16(20)11-21-12-17-7-4-8-22-17/h3-9,13,16,20H,10-12H2,1-2H3
InChIKeyDRKNXGRRELKSAT-UHFFFAOYSA-N
XLogP3.50
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110885671
1-(3-chlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 167784638
1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 109412981
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 93162960
1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol
CID 109415919
1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine
CID 43100874
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
(2R)-1-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 99730490
(2R)-1-(furan-2-ylmethoxy)-3-[methyl(2-phenoxyethyl)amino]propan-2-ol
CID 2110208
(2S)-1-[(2,5-dimethylphenyl)methyl-propan-2-ylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164686

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 110898142) is 1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol is CC(c1cccc(Cl)c1)N(C)CC(O)COCc1ccco1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is DRKNXGRRELKSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3/c1-13(14-5-3-6-15(18)9-14)19(2)10-16(20)11-21-12-17-7-4-8-22-17/h3-9,13,16,20H,10-12H2,1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol?
1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 323.82 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 110898142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).