1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol

C14H21NO2 — CID 113463781

IUPAC1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol
SMILESCC1CC1CNCC(O)COc1ccccc1
InChIInChI=1S/C14H21NO2/c1-11-7-12(11)8-15-9-13(16)10-17-14-5-3-2-4-6-14/h2-6,11-13,15-16H,7-10H2,1H3
InChIKeyGJVVXKGSHNBOEA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.67
Rot. Bonds7

About 1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol

1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol (PubChem CID 113463781) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol
PubChem CID113463781
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol
SMILESCC1CC1CNCC(O)COc1ccccc1
InChIInChI=1S/C14H21NO2/c1-11-7-12(11)8-15-9-13(16)10-17-14-5-3-2-4-6-14/h2-6,11-13,15-16H,7-10H2,1H3
InChIKeyGJVVXKGSHNBOEA-UHFFFAOYSA-N
XLogP1.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
(2R)-1-(2,2-dimethoxyethylamino)-3-phenoxypropan-2-ol
CID 2421328
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
1-(2-aminopropylamino)-3-phenoxypropan-2-ol
CID 54410968
1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol
CID 3379940
1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol
CID 63239730
(2S)-1-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-3-phenoxypropan-2-ol
CID 911090
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(iodoamino)-3-phenoxypropan-2-ol
CID 89357647
3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol
CID 115359754
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
CID 54856606
(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol (CID 113463781) is 1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol is CC1CC1CNCC(O)COc1ccccc1.
What is the InChIKey of 1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol?
The InChIKey is GJVVXKGSHNBOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-7-12(11)8-15-9-13(16)10-17-14-5-3-2-4-6-14/h2-6,11-13,15-16H,7-10H2,1H3.
What are the key properties of 1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol?
1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 113463781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).