N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine

C16H20BrNO — CID 81381164

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)N[C@@H](C)c1cccc(Br)c1
InChIInChI=1S/C16H20BrNO/c1-12(8-9-16-7-4-10-19-16)18-13(2)14-5-3-6-15(17)11-14/h3-7,10-13,18H,8-9H2,1-2H3/t12?,13-/m0/s1
InChIKeyJIEQWYUOSPYLAZ-ABLWVSNPSA-N
MW322.25 g/mol
LogP4.71
Rot. Bonds6

About N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine

N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 81381164) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
PubChem CID81381164
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)N[C@@H](C)c1cccc(Br)c1
InChIInChI=1S/C16H20BrNO/c1-12(8-9-16-7-4-10-19-16)18-13(2)14-5-3-6-15(17)11-14/h3-7,10-13,18H,8-9H2,1-2H3/t12?,13-/m0/s1
InChIKeyJIEQWYUOSPYLAZ-ABLWVSNPSA-N
XLogP4.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81382381
4-(furan-2-yl)-N-[(1R)-1-(3-methylphenyl)ethyl]butan-2-amine
CID 81363511
N-[1-(3-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43105060
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine
CID 81371675
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea
CID 55629678
N-[1-(3-bromophenyl)ethyl]octan-2-amine
CID 43673255
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 103776057
N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 43685449

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine (CID 81381164) is N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine is CC(CCc1ccco1)N[C@@H](C)c1cccc(Br)c1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is JIEQWYUOSPYLAZ-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-12(8-9-16-7-4-10-19-16)18-13(2)14-5-3-6-15(17)11-14/h3-7,10-13,18H,8-9H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine?
N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 81381164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).