1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol

C14H21NO2 — CID 111333519

IUPAC1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
SMILESC=CCN(C)CC(O)COCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-9-15(2)10-14(16)12-17-11-13-7-5-4-6-8-13/h3-8,14,16H,1,9-12H2,2H3
InChIKeyGTYCDWMDBIPLJU-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.68
Rot. Bonds8

About 1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol

1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol (PubChem CID 111333519) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
PubChem CID111333519
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
SMILESC=CCN(C)CC(O)COCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-9-15(2)10-14(16)12-17-11-13-7-5-4-6-8-13/h3-8,14,16H,1,9-12H2,2H3
InChIKeyGTYCDWMDBIPLJU-UHFFFAOYSA-N
XLogP1.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
(2S)-1-[2-chloroprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629006
(2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629005
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
CID 798688
1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 60724056
N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine
CID 11185890
N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide
CID 96547844
1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol
CID 115898094
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164962
(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
CID 10352950

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol (CID 111333519) is 1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol is C=CCN(C)CC(O)COCc1ccccc1.
What is the InChIKey of 1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is GTYCDWMDBIPLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-9-15(2)10-14(16)12-17-11-13-7-5-4-6-8-13/h3-8,14,16H,1,9-12H2,2H3.
What are the key properties of 1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol?
1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 111333519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).