(4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline

C18H21NO — CID 71497003

IUPAC(4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(C)C[C@H]2c1cccc(C)c1
InChIInChI=1S/C18H21NO/c1-13-5-4-6-14(9-13)18-12-19(2)11-15-10-16(20-3)7-8-17(15)18/h4-10,18H,11-12H2,1-3H3/t18-/m0/s1
InChIKeyKYUYTLMYZDCTDV-SFHVURJKSA-N
MW267.37 g/mol
LogP3.58
Rot. Bonds2

About (4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline

(4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 71497003) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline
PubChem CID71497003
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(C)C[C@H]2c1cccc(C)c1
InChIInChI=1S/C18H21NO/c1-13-5-4-6-14(9-13)18-12-19(2)11-15-10-16(20-3)7-8-17(15)18/h4-10,18H,11-12H2,1-3H3/t18-/m0/s1
InChIKeyKYUYTLMYZDCTDV-SFHVURJKSA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 66885817
7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 11602362
(4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 71497717
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
CID 162061488
(Z)-but-2-enedioic acid;(4S)-4-(3-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 174459803
(3aS,10bR)-8-methoxy-5-methyl-2,3,3a,4,6,10b-hexahydrofuro[3,2-d][2]benzazepine
CID 102165764
(Z)-but-2-enedioic acid;2,7-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 131727463
6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
CID 118052302
(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl) trifluoromethanesulfonate
CID 87201660
4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine
CID 58696203
3-[7-(1-ethylpiperidin-4-yl)oxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenol
CID 143247926
1-[(4R)-7-methoxy-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 167096930

Frequently Asked Questions

What is the IUPAC name of (4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline (CID 71497003) is (4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CN(C)C[C@H]2c1cccc(C)c1.
What is the InChIKey of (4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is KYUYTLMYZDCTDV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-5-4-6-14(9-13)18-12-19(2)11-15-10-16(20-3)7-8-17(15)18/h4-10,18H,11-12H2,1-3H3/t18-/m0/s1.
What are the key properties of (4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline?
(4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 267.37 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 71497003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).