(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol

C19H20ClFN2O — CID 124826510

IUPAC(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1cn(Cc2c(F)cccc2Cl)c2ccccc12
InChIInChI=1S/C19H20ClFN2O/c1-13(24)9-22-10-14-11-23(19-8-3-2-5-15(14)19)12-16-17(20)6-4-7-18(16)21/h2-8,11,13,22,24H,9-10,12H2,1H3/t13-/m1/s1
InChIKeyMWFDSFSFQSGVNP-CYBMUJFWSA-N
MW346.83 g/mol
LogP3.95
Rot. Bonds6

About (2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol

(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol (PubChem CID 124826510) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is (2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
PubChem CID124826510
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1cn(Cc2c(F)cccc2Cl)c2ccccc12
InChIInChI=1S/C19H20ClFN2O/c1-13(24)9-22-10-14-11-23(19-8-3-2-5-15(14)19)12-16-17(20)6-4-7-18(16)21/h2-8,11,13,22,24H,9-10,12H2,1H3/t13-/m1/s1
InChIKeyMWFDSFSFQSGVNP-CYBMUJFWSA-N
XLogP3.95
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826737
N-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805104
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783457
(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826792
1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol
CID 17159719
3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine
CID 170868083
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 124801601
(2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 124823338
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 124820056
(1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol
CID 124785545
1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine
CID 102856737
1-[2-[(2-chloro-6-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294846

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol (CID 124826510) is (2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol is C[C@@H](O)CNCc1cn(Cc2c(F)cccc2Cl)c2ccccc12.
What is the InChIKey of (2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol?
The InChIKey is MWFDSFSFQSGVNP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-13(24)9-22-10-14-11-23(19-8-3-2-5-15(14)19)12-16-17(20)6-4-7-18(16)21/h2-8,11,13,22,24H,9-10,12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol?
(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol has a molecular weight of 346.83 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol is sourced from PubChem (CID 124826510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).