(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

C18H20FN — CID 63048762

IUPAC(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1ccc(F)cc1C(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H20FN/c1-12-6-9-16(19)11-17(12)18(20)15-8-7-13-4-2-3-5-14(13)10-15/h6-11,18H,2-5,20H2,1H3
InChIKeyWSHAKVMVGMIOCY-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.06
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 63048762) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
PubChem CID63048762
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1ccc(F)cc1C(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H20FN/c1-12-6-9-16(19)11-17(12)18(20)15-8-7-13-4-2-3-5-14(13)10-15/h6-11,18H,2-5,20H2,1H3
InChIKeyWSHAKVMVGMIOCY-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43093702
6-[bromo-(5-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63438997
(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 79724772
(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 81471918
(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43095172
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115483649
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanamine
CID 43115579
(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115851839
cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 63047741
2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine
CID 43198708
(5-fluoro-2-methylphenyl)-pyrimidin-5-ylmethanamine
CID 62492228
2,3-dihydro-1H-inden-5-yl-(2-methylfuran-3-yl)methanamine
CID 43464481

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of (5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (CID 63048762) is (5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is Cc1ccc(F)cc1C(N)c1ccc2c(c1)CCCC2.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is WSHAKVMVGMIOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-12-6-9-16(19)11-17(12)18(20)15-8-7-13-4-2-3-5-14(13)10-15/h6-11,18H,2-5,20H2,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 269.36 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 63048762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).