1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine

C16H19ClFNS — CID 63035807

IUPAC1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
SMILESCCc1ccc(CC(Cc2ccc(F)cc2Cl)NC)s1
InChIInChI=1S/C16H19ClFNS/c1-3-14-6-7-15(20-14)10-13(19-2)8-11-4-5-12(18)9-16(11)17/h4-7,9,13,19H,3,8,10H2,1-2H3
InChIKeyFSAMJQCHSPCKLE-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.48
Rot. Bonds6

About 1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine

1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine (PubChem CID 63035807) has the molecular formula C16H19ClFNS and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
PubChem CID63035807
Molecular FormulaC16H19ClFNS
Molecular Weight311.85 g/mol
Exact Mass311.09
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
SMILESCCc1ccc(CC(Cc2ccc(F)cc2Cl)NC)s1
InChIInChI=1S/C16H19ClFNS/c1-3-14-6-7-15(20-14)10-13(19-2)8-11-4-5-12(18)9-16(11)17/h4-7,9,13,19H,3,8,10H2,1-2H3
InChIKeyFSAMJQCHSPCKLE-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
1-(2-chloro-4-fluorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 63419681
[1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine
CID 105223143
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122
1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine
CID 62604095
1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 79699824
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105133234
1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480778
1-(2-chloro-4-fluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105133236
1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 63033860
N-[1-(2-chloro-4-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63419847
1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105133367

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine (CID 63035807) is 1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine is CCc1ccc(CC(Cc2ccc(F)cc2Cl)NC)s1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine?
The InChIKey is FSAMJQCHSPCKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNS/c1-3-14-6-7-15(20-14)10-13(19-2)8-11-4-5-12(18)9-16(11)17/h4-7,9,13,19H,3,8,10H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine?
1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine has a molecular weight of 311.85 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 63035807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).