1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine

C18H19BrN2O — CID 11559523

IUPAC1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1Oc1ccc2c(ccn2C)c1C
InChIInChI=1S/C18H19BrN2O/c1-12-15-8-9-21(3)16(15)6-7-17(12)22-18-10-14(19)5-4-13(18)11-20-2/h4-10,20H,11H2,1-3H3
InChIKeyVNPBGSTXQOKFLQ-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.76
Rot. Bonds4

About 1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine

1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine (PubChem CID 11559523) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine
PubChem CID11559523
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1Oc1ccc2c(ccn2C)c1C
InChIInChI=1S/C18H19BrN2O/c1-12-15-8-9-21(3)16(15)6-7-17(12)22-18-10-14(19)5-4-13(18)11-20-2/h4-10,20H,11H2,1-3H3
InChIKeyVNPBGSTXQOKFLQ-UHFFFAOYSA-N
XLogP4.76
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282787
1-[4-bromo-2-(4-chloro-2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282565
1-(5-bromo-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83866982
1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine
CID 62336542
1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine
CID 43282407
1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 114674362
1-[4-bromo-2-(3-methyl-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61031660
1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81251035
1-[4-(5-bromo-2-chlorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81154583
1-[2-(4-chloro-2,3-dimethylphenoxy)-4-(1-methoxyethyl)phenyl]-N-methylmethanamine
CID 11530082
6-bromo-1-methylquinolin-4-one
CID 1377385
5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
CID 43281259

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine (CID 11559523) is 1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine is CNCc1ccc(Br)cc1Oc1ccc2c(ccn2C)c1C.
What is the InChIKey of 1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine?
The InChIKey is VNPBGSTXQOKFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-12-15-8-9-21(3)16(15)6-7-17(12)22-18-10-14(19)5-4-13(18)11-20-2/h4-10,20H,11H2,1-3H3.
What are the key properties of 1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine?
1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine has a molecular weight of 359.27 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 11559523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).