1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol

C16H17Cl2NO2 — CID 62374983

IUPAC1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol
SMILESCC(O)(COc1c(Cl)cc(Cl)cc1CN)c1ccccc1
InChIInChI=1S/C16H17Cl2NO2/c1-16(20,12-5-3-2-4-6-12)10-21-15-11(9-19)7-13(17)8-14(15)18/h2-8,20H,9-10,19H2,1H3
InChIKeyBCMOMKRZMIFGQT-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.74
Rot. Bonds5

About 1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol

1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol (PubChem CID 62374983) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol
PubChem CID62374983
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol
SMILESCC(O)(COc1c(Cl)cc(Cl)cc1CN)c1ccccc1
InChIInChI=1S/C16H17Cl2NO2/c1-16(20,12-5-3-2-4-6-12)10-21-15-11(9-19)7-13(17)8-14(15)18/h2-8,20H,9-10,19H2,1H3
InChIKeyBCMOMKRZMIFGQT-UHFFFAOYSA-N
XLogP3.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-4-chlorophenoxy]-2-phenylpropan-2-ol
CID 62374138
1-(2,4-dichlorophenoxy)-2-phenylpropan-2-ol
CID 62373347
1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol
CID 115952355
[3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
CID 60890207
[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine
CID 107305827
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 63902059
4-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-3-chlorobenzonitrile
CID 102663661
4-[2-(aminomethyl)-4,6-dichlorophenoxy]butanenitrile
CID 60888481
[3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine
CID 62104008
[3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 60890014
1-(2,3-dichlorophenoxy)-2-phenylpropan-2-ol
CID 55068242

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol (CID 62374983) is 1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol is CC(O)(COc1c(Cl)cc(Cl)cc1CN)c1ccccc1.
What is the InChIKey of 1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol?
The InChIKey is BCMOMKRZMIFGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-16(20,12-5-3-2-4-6-12)10-21-15-11(9-19)7-13(17)8-14(15)18/h2-8,20H,9-10,19H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol?
1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol has a molecular weight of 326.22 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol is sourced from PubChem (CID 62374983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).