N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine

C17H15Br2NO — CID 106851857

IUPACN-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1Br)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H15Br2NO/c1-2-20-16(14-9-10-21-17(14)19)13-7-8-15(18)12-6-4-3-5-11(12)13/h3-10,16,20H,2H2,1H3
InChIKeyIAIOFJDREJXMQH-UHFFFAOYSA-N
MW409.12 g/mol
LogP5.66
Rot. Bonds4

About N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine

N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine (PubChem CID 106851857) has the molecular formula C17H15Br2NO and a molecular weight of 409.12 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine
PubChem CID106851857
Molecular FormulaC17H15Br2NO
Molecular Weight409.12 g/mol
Exact Mass406.95
IUPAC NameN-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1Br)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H15Br2NO/c1-2-20-16(14-9-10-21-17(14)19)13-7-8-15(18)12-6-4-3-5-11(12)13/h3-10,16,20H,2H2,1H3
InChIKeyIAIOFJDREJXMQH-UHFFFAOYSA-N
XLogP5.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.12
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzothiophen-3-yl-(2-bromofuran-3-yl)methyl]ethanamine
CID 106851643
N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine
CID 106858308
N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine
CID 79597209
N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine
CID 106858285
N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 106855833
N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine
CID 79596933
N-[(2-bromofuran-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 106856912
N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 106851640
N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 106851633
N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 106851675
N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 106858669
N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 106851642

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine (CID 106851857) is N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine is CCNC(c1ccoc1Br)c1ccc(Br)c2ccccc12.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine?
The InChIKey is IAIOFJDREJXMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NO/c1-2-20-16(14-9-10-21-17(14)19)13-7-8-15(18)12-6-4-3-5-11(12)13/h3-10,16,20H,2H2,1H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine?
N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine has a molecular weight of 409.12 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine is sourced from PubChem (CID 106851857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).