(4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine

C15H20FN3 — CID 166689219

IUPAC(4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine
SMILESCNCC1=C2c3c(cc(F)c(C)c3CC[C@@H]2N)NC1
InChIInChI=1S/C15H20FN3/c1-8-10-3-4-12(17)14-9(6-18-2)7-19-13(15(10)14)5-11(8)16/h5,12,18-19H,3-4,6-7,17H2,1-2H3/t12-/m0/s1
InChIKeyWSCUJNFAAVDJTO-LBPRGKRZSA-N
MW261.34 g/mol
LogP1.81
Rot. Bonds2

About (4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine

(4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine (PubChem CID 166689219) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is (4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine.

Molecular Properties

Compound Name(4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine
PubChem CID166689219
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name(4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine
SMILESCNCC1=C2c3c(cc(F)c(C)c3CC[C@@H]2N)NC1
InChIInChI=1S/C15H20FN3/c1-8-10-3-4-12(17)14-9(6-18-2)7-19-13(15(10)14)5-11(8)16/h5,12,18-19H,3-4,6-7,17H2,1-2H3/t12-/m0/s1
InChIKeyWSCUJNFAAVDJTO-LBPRGKRZSA-N
XLogP1.81
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine with MolForge

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Related Compounds

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1-Methyl-2-(4-methyl-2,3-dihydro-1H-indol-5-yl)-ethylamine
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(5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline
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4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline
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6-fluoro-2-N,2-N-dipropyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
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US9957261, Example 44
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Frequently Asked Questions

What is the IUPAC name of (4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine?
The IUPAC name of (4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine (CID 166689219) is (4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine.
What is the SMILES notation for (4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine?
The canonical SMILES for (4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine is CNCC1=C2c3c(cc(F)c(C)c3CC[C@@H]2N)NC1.
What is the InChIKey of (4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine?
The InChIKey is WSCUJNFAAVDJTO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20FN3/c1-8-10-3-4-12(17)14-9(6-18-2)7-19-13(15(10)14)5-11(8)16/h5,12,18-19H,3-4,6-7,17H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine?
(4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine has a molecular weight of 261.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-fluoro-7-methyl-3-(methylaminomethyl)-2,4,5,6-tetrahydro-1H-benzo[de]quinolin-4-amine is sourced from PubChem (CID 166689219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).