1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine

C18H16ClN — CID 62789205

IUPAC1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine
SMILESCC(N)(c1ccc2ccccc2c1)c1ccccc1Cl
InChIInChI=1S/C18H16ClN/c1-18(20,16-8-4-5-9-17(16)19)15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,20H2,1H3
InChIKeyMNZJHNCIBMSMEV-UHFFFAOYSA-N
MW281.79 g/mol
LogP4.72
Rot. Bonds2

About 1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine

1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine (PubChem CID 62789205) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine
PubChem CID62789205
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine
SMILESCC(N)(c1ccc2ccccc2c1)c1ccccc1Cl
InChIInChI=1S/C18H16ClN/c1-18(20,16-8-4-5-9-17(16)19)15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,20H2,1H3
InChIKeyMNZJHNCIBMSMEV-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine?
The IUPAC name of 1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine (CID 62789205) is 1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine is CC(N)(c1ccc2ccccc2c1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine?
The InChIKey is MNZJHNCIBMSMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c1-18(20,16-8-4-5-9-17(16)19)15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,20H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine?
1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine has a molecular weight of 281.79 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 62789205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).