1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline

C18H20BrNO2 — CID 66606572

IUPAC1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1)C(Cc1ccc(Br)cc1)NCC2
InChIInChI=1S/C18H20BrNO2/c1-21-15-10-13-7-8-20-16(18(13)17(11-15)22-2)9-12-3-5-14(19)6-4-12/h3-6,10-11,16,20H,7-9H2,1-2H3
InChIKeySFWUWXMCWCGYGV-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.90
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline

1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 66606572) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID66606572
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1)C(Cc1ccc(Br)cc1)NCC2
InChIInChI=1S/C18H20BrNO2/c1-21-15-10-13-7-8-20-16(18(13)17(11-15)22-2)9-12-3-5-14(19)6-4-12/h3-6,10-11,16,20H,7-9H2,1-2H3
InChIKeySFWUWXMCWCGYGV-UHFFFAOYSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027
6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62375762
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 143954648
4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
CID 2752182
(1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 7055406
4-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96977662
(1R)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 15690955
7-ethoxy-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 166067832
(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 688594
6,7-diethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 166067834
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
2-[(4-bromophenyl)methyl]pyrrolidin-3-one
CID 83843927

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 66606572) is 1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(c(OC)c1)C(Cc1ccc(Br)cc1)NCC2.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SFWUWXMCWCGYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-21-15-10-13-7-8-20-16(18(13)17(11-15)22-2)9-12-3-5-14(19)6-4-12/h3-6,10-11,16,20H,7-9H2,1-2H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 362.27 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 66606572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).