2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine

C17H19ClFNO — CID 82787670

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C17H19ClFNO/c1-2-10-21-14-8-6-12(7-9-14)16(20)11-13-4-3-5-15(18)17(13)19/h3-9,16H,2,10-11,20H2,1H3
InChIKeyFVFXAZQWEAIESR-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.51
Rot. Bonds6

About 2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine (PubChem CID 82787670) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine
PubChem CID82787670
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C17H19ClFNO/c1-2-10-21-14-8-6-12(7-9-14)16(20)11-13-4-3-5-15(18)17(13)19/h3-9,16H,2,10-11,20H2,1H3
InChIKeyFVFXAZQWEAIESR-UHFFFAOYSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine
CID 82806691
2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145
1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102857503
2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine
CID 116545044
2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine
CID 64561584
2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine
CID 107311964
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102855814
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 102867534

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine (CID 82787670) is 2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)Cc2cccc(Cl)c2F)cc1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is FVFXAZQWEAIESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-2-10-21-14-8-6-12(7-9-14)16(20)11-13-4-3-5-15(18)17(13)19/h3-9,16H,2,10-11,20H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 307.80 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 82787670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).