N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C17H17BrFNO — CID 107633014

IUPACN-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(Nc1cc(F)ccc1Br)CC2
InChIInChI=1S/C17H17BrFNO/c1-21-15-6-3-11-2-5-14(8-12(11)9-15)20-17-10-13(19)4-7-16(17)18/h3-4,6-7,9-10,14,20H,2,5,8H2,1H3
InChIKeyBJJGMJNASMHVDL-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.57
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 107633014) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID107633014
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC NameN-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(Nc1cc(F)ccc1Br)CC2
InChIInChI=1S/C17H17BrFNO/c1-21-15-6-3-11-2-5-14(8-12(11)9-15)20-17-10-13(19)4-7-16(17)18/h3-4,6-7,9-10,14,20H,2,5,8H2,1H3
InChIKeyBJJGMJNASMHVDL-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107597292
2-bromo-N-cyclopropyl-5-methoxyaniline
CID 103439281
2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 146097580
N-(4-chloro-3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510381
N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 107632769
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627297
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 2846354
6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627795
7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510225
6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627261
2-bromo-N-cyclobutyl-5-fluoroaniline
CID 107633201

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 107633014) is N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(Nc1cc(F)ccc1Br)CC2.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BJJGMJNASMHVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-21-15-6-3-11-2-5-14(8-12(11)9-15)20-17-10-13(19)4-7-16(17)18/h3-4,6-7,9-10,14,20H,2,5,8H2,1H3.
What are the key properties of N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 350.23 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 107633014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).