2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine

C16H20ClNS — CID 79438121

IUPAC2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNCC(Cc1ccsc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNS/c1-2-8-18-11-15(10-13-7-9-19-12-13)14-3-5-16(17)6-4-14/h3-7,9,12,15,18H,2,8,10-11H2,1H3
InChIKeySAEZJBHDMVCXJP-UHFFFAOYSA-N
MW293.86 g/mol
LogP4.73
Rot. Bonds7

About 2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine

2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 79438121) has the molecular formula C16H20ClNS and a molecular weight of 293.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
PubChem CID79438121
Molecular FormulaC16H20ClNS
Molecular Weight293.86 g/mol
Exact Mass293.10
IUPAC Name2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNCC(Cc1ccsc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNS/c1-2-8-18-11-15(10-13-7-9-19-12-13)14-3-5-16(17)6-4-14/h3-7,9,12,15,18H,2,8,10-11H2,1H3
InChIKeySAEZJBHDMVCXJP-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.86
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79443388
2-(4-chlorophenyl)-N-(2-methoxyethyl)-4-thiophen-3-ylbutan-1-amine
CID 79433559
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 79432118
2-(4-chlorophenyl)-N-propyloctan-1-amine
CID 79437453
2-(4-chlorophenyl)-N-propylnonan-1-amine
CID 79438605
2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79432117
2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053398
3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine
CID 81028438
2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649470
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
2-(4-chlorophenyl)-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617850
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 107945517

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (CID 79438121) is 2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is CCCNCC(Cc1ccsc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is SAEZJBHDMVCXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS/c1-2-8-18-11-15(10-13-7-9-19-12-13)14-3-5-16(17)6-4-14/h3-7,9,12,15,18H,2,8,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 293.86 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 79438121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).