(S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol

C15H16ClNO — CID 129386809

IUPAC(S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol
SMILESCNCc1ccccc1[C@H](O)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO/c1-17-10-11-6-2-3-7-12(11)15(18)13-8-4-5-9-14(13)16/h2-9,15,17-18H,10H2,1H3/t15-/m0/s1
InChIKeyXGVHQURASNGILG-HNNXBMFYSA-N
MW261.75 g/mol
LogP3.14
Rot. Bonds4

About (S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol

(S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol (PubChem CID 129386809) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol.

Molecular Properties

Compound Name(S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol
PubChem CID129386809
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol
SMILESCNCc1ccccc1[C@H](O)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO/c1-17-10-11-6-2-3-7-12(11)15(18)13-8-4-5-9-14(13)16/h2-9,15,17-18H,10H2,1H3/t15-/m0/s1
InChIKeyXGVHQURASNGILG-HNNXBMFYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol?
The IUPAC name of (S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol (CID 129386809) is (S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol.
What is the SMILES notation for (S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol?
The canonical SMILES for (S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol is CNCc1ccccc1[C@H](O)c1ccccc1Cl.
What is the InChIKey of (S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol?
The InChIKey is XGVHQURASNGILG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-17-10-11-6-2-3-7-12(11)15(18)13-8-4-5-9-14(13)16/h2-9,15,17-18H,10H2,1H3/t15-/m0/s1.
What are the key properties of (S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol?
(S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol has a molecular weight of 261.75 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol is sourced from PubChem (CID 129386809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).