(2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol

C15H23NO2 — CID 2102012

IUPAC(2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol
SMILESC=C(C)CN(CC)C[C@H](O)COc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-16(10-13(2)3)11-14(17)12-18-15-8-6-5-7-9-15/h5-9,14,17H,2,4,10-12H2,1,3H3/t14-/m0/s1
InChIKeyFSXVYJQGLCOBIR-AWEZNQCLSA-N
MW249.35 g/mol
LogP2.32
Rot. Bonds8

About (2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol

(2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol (PubChem CID 2102012) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol
PubChem CID2102012
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol
SMILESC=C(C)CN(CC)C[C@H](O)COc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-16(10-13(2)3)11-14(17)12-18-15-8-6-5-7-9-15/h5-9,14,17H,2,4,10-12H2,1,3H3/t14-/m0/s1
InChIKeyFSXVYJQGLCOBIR-AWEZNQCLSA-N
XLogP2.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.32
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-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 7157614
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol
CID 3395727
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 110877527
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid
CID 173251132
1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717323
(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93162759

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol (CID 2102012) is (2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol is C=C(C)CN(CC)C[C@H](O)COc1ccccc1.
What is the InChIKey of (2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is FSXVYJQGLCOBIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-16(10-13(2)3)11-14(17)12-18-15-8-6-5-7-9-15/h5-9,14,17H,2,4,10-12H2,1,3H3/t14-/m0/s1.
What are the key properties of (2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol?
(2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 2102012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).