1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine

C13H13ClFNO — CID 105173645

IUPAC1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
SMILESNC(CCc1ccco1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H13ClFNO/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8,13H,4,6,16H2
InChIKeyANGQUGVDAOCGHZ-UHFFFAOYSA-N
MW253.70 g/mol
LogP3.70
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine

1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine (PubChem CID 105173645) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
PubChem CID105173645
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
SMILESNC(CCc1ccco1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H13ClFNO/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8,13H,4,6,16H2
InChIKeyANGQUGVDAOCGHZ-UHFFFAOYSA-N
XLogP3.70
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine
CID 83175328
(1S)-1-(4-chloro-2-fluorophenyl)pentane-1,5-diamine
CID 171222468
1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105092774
1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine
CID 105029387
1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol
CID 65189777
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171222464
1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 105140596
1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 107524242
3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine
CID 112517299
1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 102622645
(3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanamide
CID 104980078

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine (CID 105173645) is 1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine is NC(CCc1ccco1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
The InChIKey is ANGQUGVDAOCGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8,13H,4,6,16H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine has a molecular weight of 253.70 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 105173645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).