1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine

C17H18ClNO — CID 79701029

IUPAC1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1cc(C2(N)CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C17H18ClNO/c1-20-16-11-13(8-9-15(16)18)17(19)10-4-6-12-5-2-3-7-14(12)17/h2-3,5,7-9,11H,4,6,10,19H2,1H3
InChIKeyPQJMATMMGHKSEC-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.89
Rot. Bonds2

About 1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine

1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 79701029) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID79701029
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1cc(C2(N)CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C17H18ClNO/c1-20-16-11-13(8-9-15(16)18)17(19)10-4-6-12-5-2-3-7-14(12)17/h2-3,5,7-9,11H,4,6,10,19H2,1H3
InChIKeyPQJMATMMGHKSEC-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine (CID 79701029) is 1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine is COc1cc(C2(N)CCCc3ccccc32)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is PQJMATMMGHKSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-20-16-11-13(8-9-15(16)18)17(19)10-4-6-12-5-2-3-7-14(12)17/h2-3,5,7-9,11H,4,6,10,19H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine?
1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 287.79 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 79701029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).