N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine

C16H19ClFNOS — CID 105032431

IUPACN-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1Cl)c1sccc1OC
InChIInChI=1S/C16H19ClFNOS/c1-3-8-19-13(16-14(20-2)7-9-21-16)10-11-5-4-6-12(18)15(11)17/h4-7,9,13,19H,3,8,10H2,1-2H3
InChIKeyVPQONBXARPSKDY-UHFFFAOYSA-N
MW327.85 g/mol
LogP4.83
Rot. Bonds7

About N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine

N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine (PubChem CID 105032431) has the molecular formula C16H19ClFNOS and a molecular weight of 327.85 g/mol. Its IUPAC name is N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
PubChem CID105032431
Molecular FormulaC16H19ClFNOS
Molecular Weight327.85 g/mol
Exact Mass327.09
IUPAC NameN-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1Cl)c1sccc1OC
InChIInChI=1S/C16H19ClFNOS/c1-3-8-19-13(16-14(20-2)7-9-21-16)10-11-5-4-6-12(18)15(11)17/h4-7,9,13,19H,3,8,10H2,1-2H3
InChIKeyVPQONBXARPSKDY-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81121909
N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122712
N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115787088
N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 103043241
N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115859772
N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105020455
N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 104986393
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105035509
1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032294
N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 106858502
2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81122254
[2-(2-chloro-3-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
CID 105332778

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine (CID 105032431) is N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(F)c1Cl)c1sccc1OC.
What is the InChIKey of N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is VPQONBXARPSKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNOS/c1-3-8-19-13(16-14(20-2)7-9-21-16)10-11-5-4-6-12(18)15(11)17/h4-7,9,13,19H,3,8,10H2,1-2H3.
What are the key properties of N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 327.85 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105032431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).