1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol

C19H25NO2 — CID 44785149

IUPAC1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
SMILESCCC(C)NCC(O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25NO2/c1-3-15(2)20-13-18(21)14-22-19-11-9-17(10-12-19)16-7-5-4-6-8-16/h4-12,15,18,20-21H,3,13-14H2,1-2H3
InChIKeyNVJLPVJXKVSZKM-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.48
Rot. Bonds8

About 1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol

1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 44785149) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
PubChem CID44785149
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
SMILESCCC(C)NCC(O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25NO2/c1-3-15(2)20-13-18(21)14-22-19-11-9-17(10-12-19)16-7-5-4-6-8-16/h4-12,15,18,20-21H,3,13-14H2,1-2H3
InChIKeyNVJLPVJXKVSZKM-UHFFFAOYSA-N
XLogP3.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hexan-2-ylamino)-3-phenoxypropan-2-ol
CID 54196507
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid
CID 54335726
1-(4-phenylphenoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 4779843
(2S,3S)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-methylpentanoic acid
CID 51412077
1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 4728858
(2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol
CID 70462176
[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-trimethylazanium
CID 51859248
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
CID 64642817

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of 1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol (CID 44785149) is 1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for 1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol is CCC(C)NCC(O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is NVJLPVJXKVSZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-15(2)20-13-18(21)14-22-19-11-9-17(10-12-19)16-7-5-4-6-8-16/h4-12,15,18,20-21H,3,13-14H2,1-2H3.
What are the key properties of 1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol?
1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 44785149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).