2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine

C22H21Cl2NS — CID 66572348

IUPAC2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine
SMILESNCCSC(Cc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl2NS/c23-20-10-6-18(7-11-20)22(26-15-14-25,16-17-4-2-1-3-5-17)19-8-12-21(24)13-9-19/h1-13H,14-16,25H2
InChIKeyTVCXBVNVLLPBID-UHFFFAOYSA-N
MW402.39 g/mol
LogP6.17
Rot. Bonds7

About 2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine

2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine (PubChem CID 66572348) has the molecular formula C22H21Cl2NS and a molecular weight of 402.39 g/mol. Its IUPAC name is 2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine
PubChem CID66572348
Molecular FormulaC22H21Cl2NS
Molecular Weight402.39 g/mol
Exact Mass401.08
IUPAC Name2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine
SMILESNCCSC(Cc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl2NS/c23-20-10-6-18(7-11-20)22(26-15-14-25,16-17-4-2-1-3-5-17)19-8-12-21(24)13-9-19/h1-13H,14-16,25H2
InChIKeyTVCXBVNVLLPBID-UHFFFAOYSA-N
XLogP6.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.39
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine?
The IUPAC name of 2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine (CID 66572348) is 2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine.
What is the SMILES notation for 2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine?
The canonical SMILES for 2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine is NCCSC(Cc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine?
The InChIKey is TVCXBVNVLLPBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2NS/c23-20-10-6-18(7-11-20)22(26-15-14-25,16-17-4-2-1-3-5-17)19-8-12-21(24)13-9-19/h1-13H,14-16,25H2.
What are the key properties of 2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine?
2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine has a molecular weight of 402.39 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine is sourced from PubChem (CID 66572348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).