8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C14H20BrNO — CID 62737652

IUPAC8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCCc2c(OC)ccc(Br)c21
InChIInChI=1S/C14H20BrNO/c1-3-9-16-12-6-4-5-10-13(17-2)8-7-11(15)14(10)12/h7-8,12,16H,3-6,9H2,1-2H3
InChIKeyKTXRHRCVRBSMDU-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.83
Rot. Bonds4

About 8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 62737652) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID62737652
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCCc2c(OC)ccc(Br)c21
InChIInChI=1S/C14H20BrNO/c1-3-9-16-12-6-4-5-10-13(17-2)8-7-11(15)14(10)12/h7-8,12,16H,3-6,9H2,1-2H3
InChIKeyKTXRHRCVRBSMDU-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 62737652) is 8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1CCCc2c(OC)ccc(Br)c21.
What is the InChIKey of 8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is KTXRHRCVRBSMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-3-9-16-12-6-4-5-10-13(17-2)8-7-11(15)14(10)12/h7-8,12,16H,3-6,9H2,1-2H3.
What are the key properties of 8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 62737652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).