2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine

C17H19ClFN — CID 116545044

IUPAC2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(N)Cc2cccc(Cl)c2F)c1
InChIInChI=1S/C17H19ClFN/c1-2-5-12-6-3-7-13(10-12)16(20)11-14-8-4-9-15(18)17(14)19/h3-4,6-10,16H,2,5,11,20H2,1H3
InChIKeyOCJIMXJVRZYMJH-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.67
Rot. Bonds5

About 2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine (PubChem CID 116545044) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine
PubChem CID116545044
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(N)Cc2cccc(Cl)c2F)c1
InChIInChI=1S/C17H19ClFN/c1-2-5-12-6-3-7-13(10-12)16(20)11-14-8-4-9-15(18)17(14)19/h3-4,6-10,16H,2,5,11,20H2,1H3
InChIKeyOCJIMXJVRZYMJH-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethyl]hydrazine
CID 105264454
2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine
CID 82787670
(3-chloro-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116543595
[2-(3-chloro-2-fluorophenyl)-1-(3-ethylphenyl)ethyl]hydrazine
CID 105264293
2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine
CID 82806691
1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102857503
2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol
CID 115838074
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethanamine
CID 102858038
2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine
CID 116544264
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 82789990

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine (CID 116545044) is 2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine is CCCc1cccc(C(N)Cc2cccc(Cl)c2F)c1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine?
The InChIKey is OCJIMXJVRZYMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-2-5-12-6-3-7-13(10-12)16(20)11-14-8-4-9-15(18)17(14)19/h3-4,6-10,16H,2,5,11,20H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine is sourced from PubChem (CID 116545044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).