(S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol

C16H17Cl2NO — CID 101151784

IUPAC(S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol
SMILESCCCNc1ccc(Cl)cc1[C@H](O)c1ccccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-2-9-19-15-8-7-11(17)10-13(15)16(20)12-5-3-4-6-14(12)18/h3-8,10,16,19-20H,2,9H2,1H3/t16-/m1/s1
InChIKeySFAKTINRWSGQLM-MRXNPFEDSA-N
MW310.22 g/mol
LogP4.90
Rot. Bonds5

About (S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol

(S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol (PubChem CID 101151784) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is (S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol.

Molecular Properties

Compound Name(S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol
PubChem CID101151784
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name(S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol
SMILESCCCNc1ccc(Cl)cc1[C@H](O)c1ccccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-2-9-19-15-8-7-11(17)10-13(15)16(20)12-5-3-4-6-14(12)18/h3-8,10,16,19-20H,2,9H2,1H3/t16-/m1/s1
InChIKeySFAKTINRWSGQLM-MRXNPFEDSA-N
XLogP4.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol?
The IUPAC name of (S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol (CID 101151784) is (S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol.
What is the SMILES notation for (S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol?
The canonical SMILES for (S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol is CCCNc1ccc(Cl)cc1[C@H](O)c1ccccc1Cl.
What is the InChIKey of (S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol?
The InChIKey is SFAKTINRWSGQLM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-2-9-19-15-8-7-11(17)10-13(15)16(20)12-5-3-4-6-14(12)18/h3-8,10,16,19-20H,2,9H2,1H3/t16-/m1/s1.
What are the key properties of (S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol?
(S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol has a molecular weight of 310.22 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol is sourced from PubChem (CID 101151784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).