N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine

C18H20BrNO — CID 115861757

IUPACN-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1occc1Br)C1C2CCc3ccccc3C21
InChIInChI=1S/C18H20BrNO/c1-2-20-17(18-14(19)9-10-21-18)16-13-8-7-11-5-3-4-6-12(11)15(13)16/h3-6,9-10,13,15-17,20H,2,7-8H2,1H3
InChIKeyAMIIYOSSTKYYCP-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.67
Rot. Bonds4

About N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine

N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine (PubChem CID 115861757) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine
PubChem CID115861757
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1occc1Br)C1C2CCc3ccccc3C21
InChIInChI=1S/C18H20BrNO/c1-2-20-17(18-14(19)9-10-21-18)16-13-8-7-11-5-3-4-6-12(11)15(13)16/h3-6,9-10,13,15-17,20H,2,7-8H2,1H3
InChIKeyAMIIYOSSTKYYCP-UHFFFAOYSA-N
XLogP4.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine
CID 115861255
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine
CID 115778284
N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097362
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854478
N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135539
N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine
CID 115861503
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbut-3-yn-1-amine
CID 114978077
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005648
N-[(3-bromofuran-2-yl)-cyclohexylmethyl]ethanamine
CID 63942248
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-ethoxy-N-ethylethanamine
CID 105008227
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-5-methylhexan-1-amine
CID 105029069
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 104992964

Frequently Asked Questions

What is the IUPAC name of N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine (CID 115861757) is N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine is CCNC(c1occc1Br)C1C2CCc3ccccc3C21.
What is the InChIKey of N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine?
The InChIKey is AMIIYOSSTKYYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-2-20-17(18-14(19)9-10-21-18)16-13-8-7-11-5-3-4-6-12(11)15(13)16/h3-6,9-10,13,15-17,20H,2,7-8H2,1H3.
What are the key properties of N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine?
N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine has a molecular weight of 346.27 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 115861757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).