6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C17H17BrClNO — CID 63627787

IUPAC6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(NC2CCc3cc(Br)ccc3C2)cc1Cl
InChIInChI=1S/C17H17BrClNO/c1-21-17-7-6-15(10-16(17)19)20-14-5-3-11-8-13(18)4-2-12(11)9-14/h2,4,6-8,10,14,20H,3,5,9H2,1H3
InChIKeyUAKMLHNDNKEIAP-UHFFFAOYSA-N
MW366.69 g/mol
LogP5.08
Rot. Bonds3

About 6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63627787) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63627787
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(NC2CCc3cc(Br)ccc3C2)cc1Cl
InChIInChI=1S/C17H17BrClNO/c1-21-17-7-6-15(10-16(17)19)20-14-5-3-11-8-13(18)4-2-12(11)9-14/h2,4,6-8,10,14,20H,3,5,9H2,1H3
InChIKeyUAKMLHNDNKEIAP-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.69
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625335
6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627261
6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627434
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793
6-bromo-N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 65469337
6-bromo-N-(2,5-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626729
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine
CID 107587740
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine
CID 63627087
6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627297
6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626922
N-(4-chloro-3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510381
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine
CID 63627298

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63627787) is 6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc(NC2CCc3cc(Br)ccc3C2)cc1Cl.
What is the InChIKey of 6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UAKMLHNDNKEIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-21-17-7-6-15(10-16(17)19)20-14-5-3-11-8-13(18)4-2-12(11)9-14/h2,4,6-8,10,14,20H,3,5,9H2,1H3.
What are the key properties of 6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 366.69 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63627787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).