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

C17H27NO2 — CID 63995731

IUPAC1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol
SMILESCCC(CC1CC1)NCC(O)COCc1ccccc1
InChIInChI=1S/C17H27NO2/c1-2-16(10-14-8-9-14)18-11-17(19)13-20-12-15-6-4-3-5-7-15/h3-7,14,16-19H,2,8-13H2,1H3
InChIKeyTVIXZZXSNYAAQB-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.73
Rot. Bonds10

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

1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol (PubChem CID 63995731) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol
PubChem CID63995731
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol
SMILESCCC(CC1CC1)NCC(O)COCc1ccccc1
InChIInChI=1S/C17H27NO2/c1-2-16(10-14-8-9-14)18-11-17(19)13-20-12-15-6-4-3-5-7-15/h3-7,14,16-19H,2,8-13H2,1H3
InChIKeyTVIXZZXSNYAAQB-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 61469295
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857
(Z)-but-2-enedioic acid;1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol
CID 20840550
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 4851511
1-(cyclopentyloxyamino)-3-phenylmethoxypropan-2-ol
CID 83229084
1-[(1-methylpyrrolidin-3-yl)amino]-3-phenylmethoxypropan-2-ol
CID 61462412
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110904741
1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol
CID 64742870
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320
1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol
CID 115716647

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol (CID 63995731) is 1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol is CCC(CC1CC1)NCC(O)COCc1ccccc1.
What is the InChIKey of 1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol?
The InChIKey is TVIXZZXSNYAAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-16(10-14-8-9-14)18-11-17(19)13-20-12-15-6-4-3-5-7-15/h3-7,14,16-19H,2,8-13H2,1H3.
What are the key properties of 1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol?
1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 63995731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).