1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine

C14H16ClNS — CID 55095443

IUPAC1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
SMILESCNC(Cc1ccsc1)Cc1cccc(Cl)c1
InChIInChI=1S/C14H16ClNS/c1-16-14(9-12-5-6-17-10-12)8-11-3-2-4-13(15)7-11/h2-7,10,14,16H,8-9H2,1H3
InChIKeyZWHHOFJKYCEWQS-UHFFFAOYSA-N
MW265.81 g/mol
LogP3.77
Rot. Bonds5

About 1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine

1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 55095443) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
PubChem CID55095443
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
SMILESCNC(Cc1ccsc1)Cc1cccc(Cl)c1
InChIInChI=1S/C14H16ClNS/c1-16-14(9-12-5-6-17-10-12)8-11-3-2-4-13(15)7-11/h2-7,10,14,16H,8-9H2,1H3
InChIKeyZWHHOFJKYCEWQS-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 55095489
1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 62604150
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 63739349
1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine
CID 62234060
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547
1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine
CID 62600516
1-(3-chlorophenyl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 54919483
N-methyl-1-methylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 62694241
1-(3-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine (CID 55095443) is 1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine is CNC(Cc1ccsc1)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is ZWHHOFJKYCEWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-16-14(9-12-5-6-17-10-12)8-11-3-2-4-13(15)7-11/h2-7,10,14,16H,8-9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine?
1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 265.81 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 55095443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).