(8-methylnaphthalen-1-yl)methanamine

C12H13N — CID 58219649

IUPAC(8-methylnaphthalen-1-yl)methanamine
SMILESCc1cccc2cccc(CN)c12
InChIInChI=1S/C12H13N/c1-9-4-2-5-10-6-3-7-11(8-13)12(9)10/h2-7H,8,13H2,1H3
InChIKeyUJRDFFWYWORJEI-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.61
Rot. Bonds1

About (8-methylnaphthalen-1-yl)methanamine

(8-methylnaphthalen-1-yl)methanamine (PubChem CID 58219649) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is (8-methylnaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(8-methylnaphthalen-1-yl)methanamine
PubChem CID58219649
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name(8-methylnaphthalen-1-yl)methanamine
SMILESCc1cccc2cccc(CN)c12
InChIInChI=1S/C12H13N/c1-9-4-2-5-10-6-3-7-11(8-13)12(9)10/h2-7H,8,13H2,1H3
InChIKeyUJRDFFWYWORJEI-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8-methylnaphthalen-1-yl)methanamine?
The IUPAC name of (8-methylnaphthalen-1-yl)methanamine (CID 58219649) is (8-methylnaphthalen-1-yl)methanamine.
What is the SMILES notation for (8-methylnaphthalen-1-yl)methanamine?
The canonical SMILES for (8-methylnaphthalen-1-yl)methanamine is Cc1cccc2cccc(CN)c12.
What is the InChIKey of (8-methylnaphthalen-1-yl)methanamine?
The InChIKey is UJRDFFWYWORJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-9-4-2-5-10-6-3-7-11(8-13)12(9)10/h2-7H,8,13H2,1H3.
What are the key properties of (8-methylnaphthalen-1-yl)methanamine?
(8-methylnaphthalen-1-yl)methanamine has a molecular weight of 171.24 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylnaphthalen-1-yl)methanamine is sourced from PubChem (CID 58219649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).