7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H18ClNO — CID 82541544

IUPAC7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(Cl)cc1-c1ccc2c(c1)C(N)CCC2
InChIInChI=1S/C17H18ClNO/c1-20-17-8-7-13(18)10-15(17)12-6-5-11-3-2-4-16(19)14(11)9-12/h5-10,16H,2-4,19H2,1H3
InChIKeyUSRKHAFKLKAECD-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.35
Rot. Bonds2

About 7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 82541544) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID82541544
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(Cl)cc1-c1ccc2c(c1)C(N)CCC2
InChIInChI=1S/C17H18ClNO/c1-20-17-8-7-13(18)10-15(17)12-6-5-11-3-2-4-16(19)14(11)9-12/h5-10,16H,2-4,19H2,1H3
InChIKeyUSRKHAFKLKAECD-UHFFFAOYSA-N
XLogP4.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 82541544) is 7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc(Cl)cc1-c1ccc2c(c1)C(N)CCC2.
What is the InChIKey of 7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is USRKHAFKLKAECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-20-17-8-7-13(18)10-15(17)12-6-5-11-3-2-4-16(19)14(11)9-12/h5-10,16H,2-4,19H2,1H3.
What are the key properties of 7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 287.79 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 82541544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).