1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol

C16H18ClNO2 — CID 62374138

IUPAC1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol
SMILESCC(O)(COc1ccc(Cl)cc1CN)c1ccccc1
InChIInChI=1S/C16H18ClNO2/c1-16(19,13-5-3-2-4-6-13)11-20-15-8-7-14(17)9-12(15)10-18/h2-9,19H,10-11,18H2,1H3
InChIKeyQADXWWZHMOUWMA-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.09
Rot. Bonds5

About 1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol

1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol (PubChem CID 62374138) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol
PubChem CID62374138
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol
SMILESCC(O)(COc1ccc(Cl)cc1CN)c1ccccc1
InChIInChI=1S/C16H18ClNO2/c1-16(19,13-5-3-2-4-6-13)11-20-15-8-7-14(17)9-12(15)10-18/h2-9,19H,10-11,18H2,1H3
InChIKeyQADXWWZHMOUWMA-UHFFFAOYSA-N
XLogP3.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol (CID 62374138) is 1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol is CC(O)(COc1ccc(Cl)cc1CN)c1ccccc1.
What is the InChIKey of 1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol?
The InChIKey is QADXWWZHMOUWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-16(19,13-5-3-2-4-6-13)11-20-15-8-7-14(17)9-12(15)10-18/h2-9,19H,10-11,18H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol?
1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol has a molecular weight of 291.78 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol is sourced from PubChem (CID 62374138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).