N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine

C18H18BrNO — CID 63942460

IUPACN-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc2ccccc2c1)c1occc1Br
InChIInChI=1S/C18H18BrNO/c1-2-10-20-17(18-16(19)9-11-21-18)15-8-7-13-5-3-4-6-14(13)12-15/h3-9,11-12,17,20H,2,10H2,1H3
InChIKeyIJYLLLLIPUEJCB-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.28
Rot. Bonds5

About N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine

N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine (PubChem CID 63942460) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine
PubChem CID63942460
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC NameN-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc2ccccc2c1)c1occc1Br
InChIInChI=1S/C18H18BrNO/c1-2-10-20-17(18-16(19)9-11-21-18)15-8-7-13-5-3-4-6-14(13)12-15/h3-9,11-12,17,20H,2,10H2,1H3
InChIKeyIJYLLLLIPUEJCB-UHFFFAOYSA-N
XLogP5.28
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 ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromofuran-2-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115861594
N-[(3-bromofuran-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 63941663
N-[(4-bromo-3,5-dimethylphenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 114330770
N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 115861666
N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 105150670
N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine
CID 107357164
N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine
CID 63943224
N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 62790717
N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106692103
N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 115861459
N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 115861234
N-[1-benzothiophen-3-yl-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 115861242

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine (CID 63942460) is N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine is CCCNC(c1ccc2ccccc2c1)c1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine?
The InChIKey is IJYLLLLIPUEJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-2-10-20-17(18-16(19)9-11-21-18)15-8-7-13-5-3-4-6-14(13)12-15/h3-9,11-12,17,20H,2,10H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine?
N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine has a molecular weight of 344.25 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 63942460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).