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

C17H21ClFNO — CID 103053057

IUPAC1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccco1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C17H21ClFNO/c1-2-9-20-15(6-7-16-4-3-10-21-16)12-13-11-14(18)5-8-17(13)19/h3-5,8,10-11,15,20H,2,6-7,9,12H2,1H3
InChIKeyWXLZPZGVEHMMGL-UHFFFAOYSA-N
MW309.81 g/mol
LogP4.62
Rot. Bonds8

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

1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine (PubChem CID 103053057) has the molecular formula C17H21ClFNO and a molecular weight of 309.81 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine
PubChem CID103053057
Molecular FormulaC17H21ClFNO
Molecular Weight309.81 g/mol
Exact Mass309.13
IUPAC Name1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccco1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C17H21ClFNO/c1-2-9-20-15(6-7-16-4-3-10-21-16)12-13-11-14(18)5-8-17(13)19/h3-5,8,10-11,15,20H,2,6-7,9,12H2,1H3
InChIKeyWXLZPZGVEHMMGL-UHFFFAOYSA-N
XLogP4.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 103053051
N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 103048611
[1-(2,5-difluorophenyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105288848
1-(furan-2-yl)-N-propyldodecan-3-amine
CID 105124522
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 105139656
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105397187
1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61066306
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105143097
4-(furan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105169314
3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 105146576
5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine
CID 83183463
1-(5-chloro-2-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 103048600

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine (CID 103053057) is 1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine is CCCNC(CCc1ccco1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine?
The InChIKey is WXLZPZGVEHMMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFNO/c1-2-9-20-15(6-7-16-4-3-10-21-16)12-13-11-14(18)5-8-17(13)19/h3-5,8,10-11,15,20H,2,6-7,9,12H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine?
1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine has a molecular weight of 309.81 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 103053057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).