1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine

C12H14FN — CID 105445145

IUPAC1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine
SMILESCNCC1=CCCc2cc(F)ccc21
InChIInChI=1S/C12H14FN/c1-14-8-10-4-2-3-9-7-11(13)5-6-12(9)10/h4-7,14H,2-3,8H2,1H3
InChIKeyHHDUKSXKMDOLQP-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.37
Rot. Bonds2

About 1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine

1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine (PubChem CID 105445145) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine
PubChem CID105445145
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine
SMILESCNCC1=CCCc2cc(F)ccc21
InChIInChI=1S/C12H14FN/c1-14-8-10-4-2-3-9-7-11(13)5-6-12(9)10/h4-7,14H,2-3,8H2,1H3
InChIKeyHHDUKSXKMDOLQP-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine (CID 105445145) is 1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine is CNCC1=CCCc2cc(F)ccc21.
What is the InChIKey of 1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine?
The InChIKey is HHDUKSXKMDOLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-14-8-10-4-2-3-9-7-11(13)5-6-12(9)10/h4-7,14H,2-3,8H2,1H3.
What are the key properties of 1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine?
1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine has a molecular weight of 191.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine is sourced from PubChem (CID 105445145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).