(2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol

C19H26N2O2 — CID 98787204

IUPAC(2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol
SMILESCN(CCN(C)c1ccccc1)C[C@@H](O)COc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-20(13-14-21(2)17-9-5-3-6-10-17)15-18(22)16-23-19-11-7-4-8-12-19/h3-12,18,22H,13-16H2,1-2H3/t18-/m1/s1
InChIKeyJOVRHCPTWRYSQQ-GOSISDBHSA-N
MW314.43 g/mol
LogP2.49
Rot. Bonds9

About (2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol

(2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol (PubChem CID 98787204) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol
PubChem CID98787204
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol
SMILESCN(CCN(C)c1ccccc1)C[C@@H](O)COc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-20(13-14-21(2)17-9-5-3-6-10-17)15-18(22)16-23-19-11-7-4-8-12-19/h3-12,18,22H,13-16H2,1-2H3/t18-/m1/s1
InChIKeyJOVRHCPTWRYSQQ-GOSISDBHSA-N
XLogP2.49
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
CID 10362179
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
(2S)-1-[4-[bis[(2R)-2-hydroxy-3-phenoxypropyl]amino]-N-[(2S)-2-hydroxy-3-phenoxypropyl]anilino]-3-phenoxypropan-2-ol
CID 99654291
1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 18278682
1-(N-methylanilino)-3-(4-nitrophenoxy)propan-2-ol
CID 5000056
(2R)-1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 94391448
1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 117068437
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol (CID 98787204) is (2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol is CN(CCN(C)c1ccccc1)C[C@@H](O)COc1ccccc1.
What is the InChIKey of (2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol?
The InChIKey is JOVRHCPTWRYSQQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-20(13-14-21(2)17-9-5-3-6-10-17)15-18(22)16-23-19-11-7-4-8-12-19/h3-12,18,22H,13-16H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol?
(2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol has a molecular weight of 314.43 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 98787204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).