1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol

C16H27NO2 — CID 61469295

IUPAC1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
SMILESCCC(NCC(O)COCc1ccccc1)C(C)C
InChIInChI=1S/C16H27NO2/c1-4-16(13(2)3)17-10-15(18)12-19-11-14-8-6-5-7-9-14/h5-9,13,15-18H,4,10-12H2,1-3H3
InChIKeyJKJJVUGXOLBOJZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.59
Rot. Bonds9

About 1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol

1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol (PubChem CID 61469295) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
PubChem CID61469295
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
SMILESCCC(NCC(O)COCc1ccccc1)C(C)C
InChIInChI=1S/C16H27NO2/c1-4-16(13(2)3)17-10-15(18)12-19-11-14-8-6-5-7-9-14/h5-9,13,15-18H,4,10-12H2,1-3H3
InChIKeyJKJJVUGXOLBOJZ-UHFFFAOYSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469296
(Z)-but-2-enedioic acid;1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol
CID 20840550
1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110904741
1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol
CID 63995731
1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320
2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid
CID 79788909
1-[1-(3,4-difluorophenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110877396
1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81393836
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol (CID 61469295) is 1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol is CCC(NCC(O)COCc1ccccc1)C(C)C.
What is the InChIKey of 1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol?
The InChIKey is JKJJVUGXOLBOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-16(13(2)3)17-10-15(18)12-19-11-14-8-6-5-7-9-14/h5-9,13,15-18H,4,10-12H2,1-3H3.
What are the key properties of 1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol?
1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 61469295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).