(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C11H14FN — CID 115417616

IUPAC(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC[C@H](N)c2cc(F)ccc21
InChIInChI=1S/C11H14FN/c1-7-2-5-11(13)10-6-8(12)3-4-9(7)10/h3-4,6-7,11H,2,5,13H2,1H3/t7?,11-/m0/s1
InChIKeyKPARUZANWUSEJG-QRIDDKLISA-N
MW179.24 g/mol
LogP2.72
Rot. Bonds

About (1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417616) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417616
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC[C@H](N)c2cc(F)ccc21
InChIInChI=1S/C11H14FN/c1-7-2-5-11(13)10-6-8(12)3-4-9(7)10/h3-4,6-7,11H,2,5,13H2,1H3/t7?,11-/m0/s1
InChIKeyKPARUZANWUSEJG-QRIDDKLISA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417620
4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 155465000
(1R,4S)-6-fluoro-1-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134221424
(1R)-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417533
3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 126625151
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
(1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115483191
3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 63821756
2-(6-fluoro-3-methyl-2,3-dihydro-1H-inden-1-yl)ethanol
CID 82075944
(4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 95240605
7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
CID 144911984
(1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine
CID 104889638

Frequently Asked Questions

What is the IUPAC name of (1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417616) is (1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CC[C@H](N)c2cc(F)ccc21.
What is the InChIKey of (1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is KPARUZANWUSEJG-QRIDDKLISA-N. The full InChI is InChI=1S/C11H14FN/c1-7-2-5-11(13)10-6-8(12)3-4-9(7)10/h3-4,6-7,11H,2,5,13H2,1H3/t7?,11-/m0/s1.
What are the key properties of (1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 179.24 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).