2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine

C18H24ClNS — CID 79433672

IUPAC2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCCc1ccc(CC(CNC(C)C)c2cccc(Cl)c2)s1
InChIInChI=1S/C18H24ClNS/c1-4-17-8-9-18(21-17)11-15(12-20-13(2)3)14-6-5-7-16(19)10-14/h5-10,13,15,20H,4,11-12H2,1-3H3
InChIKeyLDEKYJHJCXGHTN-UHFFFAOYSA-N
MW321.92 g/mol
LogP5.29
Rot. Bonds7

About 2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine

2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 79433672) has the molecular formula C18H24ClNS and a molecular weight of 321.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID79433672
Molecular FormulaC18H24ClNS
Molecular Weight321.92 g/mol
Exact Mass321.13
IUPAC Name2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCCc1ccc(CC(CNC(C)C)c2cccc(Cl)c2)s1
InChIInChI=1S/C18H24ClNS/c1-4-17-8-9-18(21-17)11-15(12-20-13(2)3)14-6-5-7-16(19)10-14/h5-10,13,15,20H,4,11-12H2,1-3H3
InChIKeyLDEKYJHJCXGHTN-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.92
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644220
2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79442751
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79443102
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417900
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 82870491
2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine
CID 79441550
2-[chloro-(3-chlorophenyl)methyl]-5-ethylthiophene
CID 63430949
N-[1-(3,5-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115842683
2-[3-bromo-2-(3-chlorophenyl)propyl]-5-chlorothiophene
CID 79430000
N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79430577
2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine
CID 103036915
N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine
CID 65431365

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine (CID 79433672) is 2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine is CCc1ccc(CC(CNC(C)C)c2cccc(Cl)c2)s1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is LDEKYJHJCXGHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNS/c1-4-17-8-9-18(21-17)11-15(12-20-13(2)3)14-6-5-7-16(19)10-14/h5-10,13,15,20H,4,11-12H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine?
2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 321.92 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79433672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).