1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine

C16H19ClFNS — CID 105178932

IUPAC1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
SMILESCNC(CCCc1cccs1)Cc1cccc(F)c1Cl
InChIInChI=1S/C16H19ClFNS/c1-19-13(6-3-7-14-8-4-10-20-14)11-12-5-2-9-15(18)16(12)17/h2,4-5,8-10,13,19H,3,6-7,11H2,1H3
InChIKeyANMSPDHFBSQZIT-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.69
Rot. Bonds7

About 1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine

1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine (PubChem CID 105178932) has the molecular formula C16H19ClFNS and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
PubChem CID105178932
Molecular FormulaC16H19ClFNS
Molecular Weight311.85 g/mol
Exact Mass311.09
IUPAC Name1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
SMILESCNC(CCCc1cccs1)Cc1cccc(F)c1Cl
InChIInChI=1S/C16H19ClFNS/c1-19-13(6-3-7-14-8-4-10-20-14)11-12-5-2-9-15(18)16(12)17/h2,4-5,8-10,13,19H,3,6-7,11H2,1H3
InChIKeyANMSPDHFBSQZIT-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105178908
1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 105180648
N-methyl-1-(2-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 61065069
1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 63527812
1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 106274231
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710
1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
CID 112653598
1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 115983713
1-cyclopropyl-N-methyl-6-thiophen-2-ylhexan-3-amine
CID 105157838
1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 102867600

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine (CID 105178932) is 1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine is CNC(CCCc1cccs1)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
The InChIKey is ANMSPDHFBSQZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNS/c1-19-13(6-3-7-14-8-4-10-20-14)11-12-5-2-9-15(18)16(12)17/h2,4-5,8-10,13,19H,3,6-7,11H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine has a molecular weight of 311.85 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105178932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).