1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine

C19H20FN — CID 115852005

IUPAC1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)C1C2CCc3ccccc3C21
InChIInChI=1S/C19H20FN/c1-11-6-8-13(20)10-16(11)19(21)18-15-9-7-12-4-2-3-5-14(12)17(15)18/h2-6,8,10,15,17-19H,7,9,21H2,1H3
InChIKeyIWLUHIXFWAQQPH-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.11
Rot. Bonds2

About 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 115852005) has the molecular formula C19H20FN and a molecular weight of 281.37 g/mol. Its IUPAC name is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine
PubChem CID115852005
Molecular FormulaC19H20FN
Molecular Weight281.37 g/mol
Exact Mass281.16
IUPAC Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)C1C2CCc3ccccc3C21
InChIInChI=1S/C19H20FN/c1-11-6-8-13(20)10-16(11)19(21)18-15-9-7-12-4-2-3-5-14(12)17(15)18/h2-6,8,10,15,17-19H,7,9,21H2,1H3
InChIKeyIWLUHIXFWAQQPH-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine
CID 105006553
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine
CID 115805155
2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65406101
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
[(5-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]hydrazine
CID 105218802
[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320552
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine
CID 105026125
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine
CID 115779942
[(5-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]hydrazine
CID 105234578
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43195451
1-(4-fluoro-2-methylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 81270071
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine
CID 115835676

Frequently Asked Questions

What is the IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine (CID 115852005) is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine is Cc1ccc(F)cc1C(N)C1C2CCc3ccccc3C21.
What is the InChIKey of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is IWLUHIXFWAQQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN/c1-11-6-8-13(20)10-16(11)19(21)18-15-9-7-12-4-2-3-5-14(12)17(15)18/h2-6,8,10,15,17-19H,7,9,21H2,1H3.
What are the key properties of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine?
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine has a molecular weight of 281.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 115852005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).