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

C15H18ClNS — CID 55095489

IUPAC1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(Cc1ccsc1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H18ClNS/c1-2-17-15(10-13-6-7-18-11-13)9-12-4-3-5-14(16)8-12/h3-8,11,15,17H,2,9-10H2,1H3
InChIKeyAHLNFTTUNMQPIH-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.16
Rot. Bonds6

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

1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 55095489) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
PubChem CID55095489
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(Cc1ccsc1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H18ClNS/c1-2-17-15(10-13-6-7-18-11-13)9-12-4-3-5-14(16)8-12/h3-8,11,15,17H,2,9-10H2,1H3
InChIKeyAHLNFTTUNMQPIH-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 55095443
N-ethyl-1-(3-fluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 62602151
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63412081
1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 61392785
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 105181697
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66145811
1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128510
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63411998

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine (CID 55095489) is 1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine is CCNC(Cc1ccsc1)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is AHLNFTTUNMQPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-2-17-15(10-13-6-7-18-11-13)9-12-4-3-5-14(16)8-12/h3-8,11,15,17H,2,9-10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine?
1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 279.84 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 55095489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).