4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol

C18H29NO2 — CID 116694241

IUPAC4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CO)(CCOC1CCCC1)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-15(2)19-18(14-20,16-8-4-3-5-9-16)12-13-21-17-10-6-7-11-17/h3-5,8-9,15,17,19-20H,6-7,10-14H2,1-2H3
InChIKeySDMRRZDSAJYGLN-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.22
Rot. Bonds8

About 4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol

4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 116694241) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID116694241
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CO)(CCOC1CCCC1)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-15(2)19-18(14-20,16-8-4-3-5-9-16)12-13-21-17-10-6-7-11-17/h3-5,8-9,15,17,19-20H,6-7,10-14H2,1-2H3
InChIKeySDMRRZDSAJYGLN-UHFFFAOYSA-N
XLogP3.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64804504
4-(3-methylbutylsulfanyl)-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 107756327
4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64803235
3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64809912
4-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64810748
2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol
CID 116695566
3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64790980
4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid
CID 116694243
3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798698

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol (CID 116694241) is 4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(CO)(CCOC1CCCC1)c1ccccc1.
What is the InChIKey of 4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is SDMRRZDSAJYGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(2)19-18(14-20,16-8-4-3-5-9-16)12-13-21-17-10-6-7-11-17/h3-5,8-9,15,17,19-20H,6-7,10-14H2,1-2H3.
What are the key properties of 4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol?
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 291.43 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 116694241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).