(2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline

C17H19N — CID 70994764

IUPAC(2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCC[C@H]1Cc2ccccc2N[C@H]1c1ccccc1
InChIInChI=1S/C17H19N/c1-2-13-12-15-10-6-7-11-16(15)18-17(13)14-8-4-3-5-9-14/h3-11,13,17-18H,2,12H2,1H3/t13-,17+/m0/s1
InChIKeyKHKFUJNYVWOJPF-SUMWQHHRSA-N
MW237.35 g/mol
LogP4.42
Rot. Bonds2

About (2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline

(2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline (PubChem CID 70994764) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is (2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline
PubChem CID70994764
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name(2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCC[C@H]1Cc2ccccc2N[C@H]1c1ccccc1
InChIInChI=1S/C17H19N/c1-2-13-12-15-10-6-7-11-16(15)18-17(13)14-8-4-3-5-9-14/h3-11,13,17-18H,2,12H2,1H3/t13-,17+/m0/s1
InChIKeyKHKFUJNYVWOJPF-SUMWQHHRSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 141481871
(2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 122219659
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 15312191
(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)methanol
CID 123241358
2-butan-2-yl-2,3-dihydro-1H-indole
CID 70399536
2-(2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 14668660
4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 142986299
2-(4-ethylphenyl)-2,3-dihydro-1H-indole
CID 3934310
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
CID 106779223
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline (CID 70994764) is (2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline is CC[C@H]1Cc2ccccc2N[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is KHKFUJNYVWOJPF-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H19N/c1-2-13-12-15-10-6-7-11-16(15)18-17(13)14-8-4-3-5-9-14/h3-11,13,17-18H,2,12H2,1H3/t13-,17+/m0/s1.
What are the key properties of (2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
(2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 237.35 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 70994764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).