1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine

C18H18BrNO — CID 63527036

IUPAC1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine
SMILESCCNC(Cc1cccc2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C18H18BrNO/c1-2-20-16(17-10-11-18(19)21-17)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-11,16,20H,2,12H2,1H3
InChIKeyGIOFCDMLZHOXCP-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.09
Rot. Bonds5

About 1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine

1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine (PubChem CID 63527036) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine
PubChem CID63527036
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine
SMILESCCNC(Cc1cccc2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C18H18BrNO/c1-2-20-16(17-10-11-18(19)21-17)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-11,16,20H,2,12H2,1H3
InChIKeyGIOFCDMLZHOXCP-UHFFFAOYSA-N
XLogP5.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromofuran-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 55067944
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 61064969
2-(4-bromo-2-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115844705
1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
CID 115817423
1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412461
N-ethyl-1-(5-methylfuran-2-yl)-2-quinolin-4-ylethanamine
CID 104997381
2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692784
2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 62531157
2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115818887
1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 115818150
N-ethyl-2-naphthalen-1-yl-1-(oxan-4-yl)ethanamine
CID 62905156
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine (CID 63527036) is 1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine is CCNC(Cc1cccc2ccccc12)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine?
The InChIKey is GIOFCDMLZHOXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-2-20-16(17-10-11-18(19)21-17)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-11,16,20H,2,12H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine?
1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine has a molecular weight of 344.25 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 63527036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).