1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine

C14H15ClFNO — CID 102622645

IUPAC1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
SMILESNC(CCc1ccco1)Cc1cc(F)ccc1Cl
InChIInChI=1S/C14H15ClFNO/c15-14-6-3-11(16)8-10(14)9-12(17)4-5-13-2-1-7-18-13/h1-3,6-8,12H,4-5,9,17H2
InChIKeyFLTOFAQGTSXVFE-UHFFFAOYSA-N
MW267.73 g/mol
LogP3.57
Rot. Bonds5

About 1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine

1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine (PubChem CID 102622645) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
PubChem CID102622645
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
SMILESNC(CCc1ccco1)Cc1cc(F)ccc1Cl
InChIInChI=1S/C14H15ClFNO/c15-14-6-3-11(16)8-10(14)9-12(17)4-5-13-2-1-7-18-13/h1-3,6-8,12H,4-5,9,17H2
InChIKeyFLTOFAQGTSXVFE-UHFFFAOYSA-N
XLogP3.57
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 61079810
1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine
CID 102622741
[1-(2,5-difluorophenyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105288848
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105397390
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 102618765
1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine
CID 55087006
[1-(5-fluoro-2-methylphenyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105378016
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105397187
1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol
CID 65189777
1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618839
1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105092774

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine (CID 102622645) is 1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine is NC(CCc1ccco1)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine?
The InChIKey is FLTOFAQGTSXVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c15-14-6-3-11(16)8-10(14)9-12(17)4-5-13-2-1-7-18-13/h1-3,6-8,12H,4-5,9,17H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine?
1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine has a molecular weight of 267.73 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 102622645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).