8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C13H18ClNO — CID 12924817

IUPAC8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCNC1CCc2c(OC)ccc(Cl)c2C1
InChIInChI=1S/C13H18ClNO/c1-3-15-9-4-5-10-11(8-9)12(14)6-7-13(10)16-2/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyWAPNCIRBPQRYGU-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.82
Rot. Bonds3

About 8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 12924817) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID12924817
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCNC1CCc2c(OC)ccc(Cl)c2C1
InChIInChI=1S/C13H18ClNO/c1-3-15-9-4-5-10-11(8-9)12(14)6-7-13(10)16-2/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyWAPNCIRBPQRYGU-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 12924817) is 8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is CCNC1CCc2c(OC)ccc(Cl)c2C1.
What is the InChIKey of 8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is WAPNCIRBPQRYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-3-15-9-4-5-10-11(8-9)12(14)6-7-13(10)16-2/h6-7,9,15H,3-5,8H2,1-2H3.
What are the key properties of 8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 239.75 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 12924817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).