N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

C17H20BrNO — CID 43224333

IUPACN-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCC(NCc1ccc(Br)o1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H20BrNO/c1-12(19-11-16-8-9-17(18)20-16)14-7-6-13-4-2-3-5-15(13)10-14/h6-10,12,19H,2-5,11H2,1H3
InChIKeyDZSPPUYRSKYPOR-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.77
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 43224333) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID43224333
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCC(NCc1ccc(Br)o1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H20BrNO/c1-12(19-11-16-8-9-17(18)20-16)14-7-6-13-4-2-3-5-15(13)10-14/h6-10,12,19H,2-5,11H2,1H3
InChIKeyDZSPPUYRSKYPOR-UHFFFAOYSA-N
XLogP4.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43223765
N-[(4-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43079812
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371270
N-(furan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 62999731
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225812
N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 43180998
N-(cyclobutylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43298255
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 60695990
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 65246342
N-(2-propan-2-yloxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115574841
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine
CID 64568274

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (CID 43224333) is N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is CC(NCc1ccc(Br)o1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is DZSPPUYRSKYPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12(19-11-16-8-9-17(18)20-16)14-7-6-13-4-2-3-5-15(13)10-14/h6-10,12,19H,2-5,11H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 43224333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).