(4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline

C18H20ClN — CID 155698350

IUPAC(4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccccc1[C@@H]1CN(C)Cc2cc(Cl)ccc21
InChIInChI=1S/C18H20ClN/c1-3-13-6-4-5-7-16(13)18-12-20(2)11-14-10-15(19)8-9-17(14)18/h4-10,18H,3,11-12H2,1-2H3/t18-/m0/s1
InChIKeyVWHKVQUILVREBR-SFHVURJKSA-N
MW285.82 g/mol
LogP4.48
Rot. Bonds2

About (4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline

(4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 155698350) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is (4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID155698350
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name(4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccccc1[C@@H]1CN(C)Cc2cc(Cl)ccc21
InChIInChI=1S/C18H20ClN/c1-3-13-6-4-5-7-16(13)18-12-20(2)11-14-10-15(19)8-9-17(14)18/h4-10,18H,3,11-12H2,1-2H3/t18-/m0/s1
InChIKeyVWHKVQUILVREBR-SFHVURJKSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 71497717
4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995503
4-[4-(1-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994432
8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine
CID 163239944
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
7-chloro-4-hydroxy-3-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-quinolin-2-one
CID 54684819
1-(2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 23310853
1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione
CID 11565973
4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68994272
1-[(4S)-2-chloro-4-(2-ethylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 155140849
buta-1,3-diene;[2-methyl-4-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl] thiohypofluorite
CID 171526436
buta-1,3-diene;6,7-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 171526432

Frequently Asked Questions

What is the IUPAC name of (4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 155698350) is (4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline is CCc1ccccc1[C@@H]1CN(C)Cc2cc(Cl)ccc21.
What is the InChIKey of (4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is VWHKVQUILVREBR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20ClN/c1-3-13-6-4-5-7-16(13)18-12-20(2)11-14-10-15(19)8-9-17(14)18/h4-10,18H,3,11-12H2,1-2H3/t18-/m0/s1.
What are the key properties of (4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
(4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 285.82 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 155698350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).