N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine

C15H17Br2NO — CID 62084806

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1cc(Br)c(Br)o1
InChIInChI=1S/C15H17Br2NO/c1-11(7-8-12-5-3-2-4-6-12)18-10-13-9-14(16)15(17)19-13/h2-6,9,11,18H,7-8,10H2,1H3
InChIKeyCYHYTZAWZVCRES-UHFFFAOYSA-N
MW387.12 g/mol
LogP4.92
Rot. Bonds6

About N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine

N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine (PubChem CID 62084806) has the molecular formula C15H17Br2NO and a molecular weight of 387.12 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine
PubChem CID62084806
Molecular FormulaC15H17Br2NO
Molecular Weight387.12 g/mol
Exact Mass384.97
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1cc(Br)c(Br)o1
InChIInChI=1S/C15H17Br2NO/c1-11(7-8-12-5-3-2-4-6-12)18-10-13-9-14(16)15(17)19-13/h2-6,9,11,18H,7-8,10H2,1H3
InChIKeyCYHYTZAWZVCRES-UHFFFAOYSA-N
XLogP4.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.12
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796
(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
CID 28833188
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-[(2-bromo-5-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63452332
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211415
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine
CID 17211422
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211278
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211431

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine (CID 62084806) is N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine is CC(CCc1ccccc1)NCc1cc(Br)c(Br)o1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine?
The InChIKey is CYHYTZAWZVCRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NO/c1-11(7-8-12-5-3-2-4-6-12)18-10-13-9-14(16)15(17)19-13/h2-6,9,11,18H,7-8,10H2,1H3.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine?
N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine has a molecular weight of 387.12 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 62084806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).