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

C18H20N2O — CID 105026125

IUPAC1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine
SMILESCOc1cncc(C(N)C2C3CCc4ccccc4C32)c1
InChIInChI=1S/C18H20N2O/c1-21-13-8-12(9-20-10-13)18(19)17-15-7-6-11-4-2-3-5-14(11)16(15)17/h2-5,8-10,15-18H,6-7,19H2,1H3
InChIKeyMFAZIPSGCCEIKX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.07
Rot. Bonds3

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

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine (PubChem CID 105026125) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine
PubChem CID105026125
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine
SMILESCOc1cncc(C(N)C2C3CCc4ccccc4C32)c1
InChIInChI=1S/C18H20N2O/c1-21-13-8-12(9-20-10-13)18(19)17-15-7-6-11-4-2-3-5-14(11)16(15)17/h2-5,8-10,15-18H,6-7,19H2,1H3
InChIKeyMFAZIPSGCCEIKX-UHFFFAOYSA-N
XLogP3.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine with MolForge

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Related Compounds

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine
CID 115805155
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine
CID 105006553
2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine
CID 65412498
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 115852005
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320552
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine
CID 115779942
[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305505
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol
CID 114981786
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine
CID 115835676
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-methylsulfonylbutan-1-amine
CID 115820859
(5-methyl-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115374693

Frequently Asked Questions

What is the IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine?
The IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine (CID 105026125) is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine is COc1cncc(C(N)C2C3CCc4ccccc4C32)c1.
What is the InChIKey of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine?
The InChIKey is MFAZIPSGCCEIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-21-13-8-12(9-20-10-13)18(19)17-15-7-6-11-4-2-3-5-14(11)16(15)17/h2-5,8-10,15-18H,6-7,19H2,1H3.
What are the key properties of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine?
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine has a molecular weight of 280.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105026125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).