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

C15H18ClNS — CID 81366139

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(N[C@H](C)c1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C15H18ClNS/c1-3-14(15-8-5-9-18-15)17-11(2)12-6-4-7-13(16)10-12/h4-11,14,17H,3H2,1-2H3/t11-,14?/m1/s1
InChIKeyCVIOHZDIBNIALL-YNODCEANSA-N
MW279.84 g/mol
LogP5.20
Rot. Bonds5

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

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 81366139) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID81366139
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(N[C@H](C)c1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C15H18ClNS/c1-3-14(15-8-5-9-18-15)17-11(2)12-6-4-7-13(16)10-12/h4-11,14,17H,3H2,1-2H3/t11-,14?/m1/s1
InChIKeyCVIOHZDIBNIALL-YNODCEANSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.84
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43673198
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81366262
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine
CID 81361767
1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398672
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 79139531

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine (CID 81366139) is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine is CCC(N[C@H](C)c1cccc(Cl)c1)c1cccs1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is CVIOHZDIBNIALL-YNODCEANSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-3-14(15-8-5-9-18-15)17-11(2)12-6-4-7-13(16)10-12/h4-11,14,17H,3H2,1-2H3/t11-,14?/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine?
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 279.84 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 81366139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).