(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine

C20H23FN2 — CID 124823717

IUPAC(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
SMILESCC[C@H](C)NCc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C20H23FN2/c1-3-15(2)22-12-17-14-23(20-7-5-4-6-19(17)20)13-16-8-10-18(21)11-9-16/h4-11,14-15,22H,3,12-13H2,1-2H3/t15-/m0/s1
InChIKeyIXHKJYBHTMWHFX-HNNXBMFYSA-N
MW310.42 g/mol
LogP4.72
Rot. Bonds6

About (2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine

(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine (PubChem CID 124823717) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is (2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
PubChem CID124823717
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
SMILESCC[C@H](C)NCc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C20H23FN2/c1-3-15(2)22-12-17-14-23(20-7-5-4-6-19(17)20)13-16-8-10-18(21)11-9-16/h4-11,14-15,22H,3,12-13H2,1-2H3/t15-/m0/s1
InChIKeyIXHKJYBHTMWHFX-HNNXBMFYSA-N
XLogP4.72
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823609
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027513
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine
CID 124784130
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 17211440
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 124783741
(2S)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 124822546
(2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 124823338
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333
2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
CID 124804470

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine?
The IUPAC name of (2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine (CID 124823717) is (2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine.
What is the SMILES notation for (2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine?
The canonical SMILES for (2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine is CC[C@H](C)NCc1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of (2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine?
The InChIKey is IXHKJYBHTMWHFX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23FN2/c1-3-15(2)22-12-17-14-23(20-7-5-4-6-19(17)20)13-16-8-10-18(21)11-9-16/h4-11,14-15,22H,3,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine?
(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine has a molecular weight of 310.42 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine is sourced from PubChem (CID 124823717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).