(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol

C15H25NO2 — CID 103960325

IUPAC(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(CCOC)C(C)C
InChIInChI=1S/C15H25NO2/c1-5-15(17)13-8-6-7-9-14(13)16(12(2)3)10-11-18-4/h6-9,12,15,17H,5,10-11H2,1-4H3/t15-/m0/s1
InChIKeyMGFWBQTXJWYZOC-HNNXBMFYSA-N
MW251.37 g/mol
LogP2.99
Rot. Bonds7

About (1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol

(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol (PubChem CID 103960325) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
PubChem CID103960325
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(CCOC)C(C)C
InChIInChI=1S/C15H25NO2/c1-5-15(17)13-8-6-7-9-14(13)16(12(2)3)10-11-18-4/h6-9,12,15,17H,5,10-11H2,1-4H3/t15-/m0/s1
InChIKeyMGFWBQTXJWYZOC-HNNXBMFYSA-N
XLogP2.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 103959097
(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol
CID 103959999
(1R)-1-[2-[2-methoxyethyl(methyl)amino]phenyl]propan-1-ol
CID 103959855
2-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82951873
(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
CID 112678949
2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 112678052
1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 114066905
2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82960379
2-(1-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 115995066

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol (CID 103960325) is (1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N(CCOC)C(C)C.
What is the InChIKey of (1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol?
The InChIKey is MGFWBQTXJWYZOC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-15(17)13-8-6-7-9-14(13)16(12(2)3)10-11-18-4/h6-9,12,15,17H,5,10-11H2,1-4H3/t15-/m0/s1.
What are the key properties of (1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol?
(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 103960325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).