(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine

C15H17ClFNO — CID 8637675

IUPAC(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C15H17ClFNO/c1-3-10(2)18-9-12-5-7-15(19-12)11-4-6-14(17)13(16)8-11/h4-8,10,18H,3,9H2,1-2H3/t10-/m1/s1
InChIKeyKUBGWVVHHLHLGW-SNVBAGLBSA-N
MW281.76 g/mol
LogP4.63
Rot. Bonds5

About (2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine

(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine (PubChem CID 8637675) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is (2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine
PubChem CID8637675
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC Name(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C15H17ClFNO/c1-3-10(2)18-9-12-5-7-15(19-12)11-4-6-14(17)13(16)8-11/h4-8,10,18H,3,9H2,1-2H3/t10-/m1/s1
InChIKeyKUBGWVVHHLHLGW-SNVBAGLBSA-N
XLogP4.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17333094
(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8639149
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
CID 4723768
2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylamino]acetonitrile
CID 4724597
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]butan-2-amine;hydrochloride
CID 17056319
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 4724568
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine;hydrochloride
CID 17333117
N'-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17333119
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
CID 7425278
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 4723603
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211431
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17215877

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine?
The IUPAC name of (2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine (CID 8637675) is (2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine is CC[C@@H](C)NCc1ccc(-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of (2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine?
The InChIKey is KUBGWVVHHLHLGW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17ClFNO/c1-3-10(2)18-9-12-5-7-15(19-12)11-4-6-14(17)13(16)8-11/h4-8,10,18H,3,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine?
(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine has a molecular weight of 281.76 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 8637675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).