1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine

C16H14ClNO — CID 106691917

IUPAC1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
SMILESCNC(c1ccc2ccccc2c1)c1ccc(Cl)o1
InChIInChI=1S/C16H14ClNO/c1-18-16(14-8-9-15(17)19-14)13-7-6-11-4-2-3-5-12(11)10-13/h2-10,16,18H,1H3
InChIKeyBBUVRRUJDWRXHN-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.39
Rot. Bonds3

About 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine

1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine (PubChem CID 106691917) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
PubChem CID106691917
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
SMILESCNC(c1ccc2ccccc2c1)c1ccc(Cl)o1
InChIInChI=1S/C16H14ClNO/c1-18-16(14-8-9-15(17)19-14)13-7-6-11-4-2-3-5-12(11)10-13/h2-10,16,18H,1H3
InChIKeyBBUVRRUJDWRXHN-UHFFFAOYSA-N
XLogP4.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine (CID 106691917) is 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine is CNC(c1ccc2ccccc2c1)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine?
The InChIKey is BBUVRRUJDWRXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-18-16(14-8-9-15(17)19-14)13-7-6-11-4-2-3-5-12(11)10-13/h2-10,16,18H,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine?
1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine has a molecular weight of 271.75 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine is sourced from PubChem (CID 106691917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).