3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol

C19H24ClNO2 — CID 13298975

IUPAC3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol
SMILESCN(C)CC(COc1ccc(Cl)cc1)C(C)(O)c1ccccc1
InChIInChI=1S/C19H24ClNO2/c1-19(22,15-7-5-4-6-8-15)16(13-21(2)3)14-23-18-11-9-17(20)10-12-18/h4-12,16,22H,13-14H2,1-3H3
InChIKeyXWFIVTWRYWRJLN-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.80
Rot. Bonds7

About 3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol

3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol (PubChem CID 13298975) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol
PubChem CID13298975
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol
SMILESCN(C)CC(COc1ccc(Cl)cc1)C(C)(O)c1ccccc1
InChIInChI=1S/C19H24ClNO2/c1-19(22,15-7-5-4-6-8-15)16(13-21(2)3)14-23-18-11-9-17(20)10-12-18/h4-12,16,22H,13-14H2,1-3H3
InChIKeyXWFIVTWRYWRJLN-UHFFFAOYSA-N
XLogP3.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467630
(2R,3R)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467628
3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820989
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
(2R,3S)-3-benzyl-4-(dimethylamino)-2-(3-phenylmethoxyphenyl)butan-2-ol;hydrochloride
CID 70009427
1-[4-[(4-chlorophenyl)methylamino]phenoxy]-3-(dimethylamino)propan-2-ol
CID 111336503
(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol
CID 2106515
2-(4-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936319
chloromethane;[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone;hydrate
CID 66916242
2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine;hydrochloride
CID 11223
(2S)-1-[benzyl(2-methylpropyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 93161416
2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115766334

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol (CID 13298975) is 3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol is CN(C)CC(COc1ccc(Cl)cc1)C(C)(O)c1ccccc1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol?
The InChIKey is XWFIVTWRYWRJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-19(22,15-7-5-4-6-8-15)16(13-21(2)3)14-23-18-11-9-17(20)10-12-18/h4-12,16,22H,13-14H2,1-3H3.
What are the key properties of 3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol?
3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol has a molecular weight of 333.86 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol is sourced from PubChem (CID 13298975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).