6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C18H19BrClN — CID 63625332

IUPAC6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESClc1ccc(CCNC2CCc3cc(Br)ccc3C2)cc1
InChIInChI=1S/C18H19BrClN/c19-16-5-3-15-12-18(8-4-14(15)11-16)21-10-9-13-1-6-17(20)7-2-13/h1-3,5-7,11,18,21H,4,8-10,12H2
InChIKeyPVMHPNHFARADSR-UHFFFAOYSA-N
MW364.71 g/mol
LogP4.79
Rot. Bonds4

About 6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63625332) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is 6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63625332
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC Name6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESClc1ccc(CCNC2CCc3cc(Br)ccc3C2)cc1
InChIInChI=1S/C18H19BrClN/c19-16-5-3-15-12-18(8-4-14(15)11-16)21-10-9-13-1-6-17(20)7-2-13/h1-3,5-7,11,18,21H,4,8-10,12H2
InChIKeyPVMHPNHFARADSR-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.71
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63625332) is 6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Clc1ccc(CCNC2CCc3cc(Br)ccc3C2)cc1.
What is the InChIKey of 6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is PVMHPNHFARADSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN/c19-16-5-3-15-12-18(8-4-14(15)11-16)21-10-9-13-1-6-17(20)7-2-13/h1-3,5-7,11,18,21H,4,8-10,12H2.
What are the key properties of 6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 364.71 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63625332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).