N-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine

C13H17N — CID 105442803

IUPACN-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine
SMILESCNCC1=Cc2cc(C)ccc2CC1
InChIInChI=1S/C13H17N/c1-10-3-5-12-6-4-11(9-14-2)8-13(12)7-10/h3,5,7-8,14H,4,6,9H2,1-2H3
InChIKeyBWOMNQNIBZDCMR-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.54
Rot. Bonds2

About N-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine

N-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine (PubChem CID 105442803) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine
PubChem CID105442803
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine
SMILESCNCC1=Cc2cc(C)ccc2CC1
InChIInChI=1S/C13H17N/c1-10-3-5-12-6-4-11(9-14-2)8-13(12)7-10/h3,5,7-8,14H,4,6,9H2,1-2H3
InChIKeyBWOMNQNIBZDCMR-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine?
The IUPAC name of N-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine (CID 105442803) is N-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine is CNCC1=Cc2cc(C)ccc2CC1.
What is the InChIKey of N-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine?
The InChIKey is BWOMNQNIBZDCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10-3-5-12-6-4-11(9-14-2)8-13(12)7-10/h3,5,7-8,14H,4,6,9H2,1-2H3.
What are the key properties of N-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine?
N-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine has a molecular weight of 187.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-methyl-3,4-dihydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 105442803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).