3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol

C17H21NO2 — CID 21410

IUPAC3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol
SMILESCN(C)CC(Oc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-18(2)13-16(20-15-11-7-4-8-12-15)17(19)14-9-5-3-6-10-14/h3-12,16-17,19H,13H2,1-2H3
InChIKeyRKULGLAATSNWEL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.73
Rot. Bonds6

About 3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol

3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol (PubChem CID 21410) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol
PubChem CID21410
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol
SMILESCN(C)CC(Oc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-18(2)13-16(20-15-11-7-4-8-12-15)17(19)14-9-5-3-6-10-14/h3-12,16-17,19H,13H2,1-2H3
InChIKeyRKULGLAATSNWEL-UHFFFAOYSA-N
XLogP2.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol
CID 58420104
N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323
N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride
CID 117066903
(1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol
CID 39869601
1-phenyl-2-(4-propylphenoxy)butan-1-ol
CID 63467207
(1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol
CID 125467735
3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 22385898
[2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride
CID 3065816
but-2-enedioic acid;N,N-dimethyl-2,2-diphenoxyethanamine
CID 3084253
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride
CID 12549092
1,2-diphenylethane-1,2-diol
CID 159073808

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol?
The IUPAC name of 3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol (CID 21410) is 3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol?
The canonical SMILES for 3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol is CN(C)CC(Oc1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol?
The InChIKey is RKULGLAATSNWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18(2)13-16(20-15-11-7-4-8-12-15)17(19)14-9-5-3-6-10-14/h3-12,16-17,19H,13H2,1-2H3.
What are the key properties of 3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol?
3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol is sourced from PubChem (CID 21410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).