1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine

C19H28FN — CID 115852814

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1F)C1CCC2CCCCC2C1
InChIInChI=1S/C19H28FN/c1-13-7-10-18(20)17(11-13)19(21-2)16-9-8-14-5-3-4-6-15(14)12-16/h7,10-11,14-16,19,21H,3-6,8-9,12H2,1-2H3
InChIKeyIAMPOEWKDMBGKI-UHFFFAOYSA-N
MW289.44 g/mol
LogP5.00
Rot. Bonds3

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine (PubChem CID 115852814) has the molecular formula C19H28FN and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
PubChem CID115852814
Molecular FormulaC19H28FN
Molecular Weight289.44 g/mol
Exact Mass289.22
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1F)C1CCC2CCCCC2C1
InChIInChI=1S/C19H28FN/c1-13-7-10-18(20)17(11-13)19(21-2)16-9-8-14-5-3-4-6-15(14)12-16/h7,10-11,14-16,19,21H,3-6,8-9,12H2,1-2H3
InChIKeyIAMPOEWKDMBGKI-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine with MolForge

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Related Compounds

1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210
1-(3-ethylcyclopentyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 65409640
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 63415562
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859863
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105397031
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998167
1-(4,4-difluorocyclohexyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143269
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62791719
N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415800
[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302141
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 62789509

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine (CID 115852814) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine is CNC(c1cc(C)ccc1F)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The InChIKey is IAMPOEWKDMBGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN/c1-13-7-10-18(20)17(11-13)19(21-2)16-9-8-14-5-3-4-6-15(14)12-16/h7,10-11,14-16,19,21H,3-6,8-9,12H2,1-2H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine has a molecular weight of 289.44 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115852814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).