4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol

C18H29NO2 — CID 110010822

IUPAC4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol
SMILESCC(C)(C)OC1CC(NC(CCCO)c2ccccc2)C1
InChIInChI=1S/C18H29NO2/c1-18(2,3)21-16-12-15(13-16)19-17(10-7-11-20)14-8-5-4-6-9-14/h4-6,8-9,15-17,19-20H,7,10-13H2,1-3H3
InChIKeyVEPKODWKURBBTD-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.44
Rot. Bonds7

About 4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol

4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol (PubChem CID 110010822) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol
PubChem CID110010822
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol
SMILESCC(C)(C)OC1CC(NC(CCCO)c2ccccc2)C1
InChIInChI=1S/C18H29NO2/c1-18(2,3)21-16-12-15(13-16)19-17(10-7-11-20)14-8-5-4-6-9-14/h4-6,8-9,15-17,19-20H,7,10-13H2,1-3H3
InChIKeyVEPKODWKURBBTD-UHFFFAOYSA-N
XLogP3.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol
CID 111467264
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
CID 107862559
1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
CID 111456098
N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide
CID 111448436
tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate
CID 102672525
N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine
CID 103561357
N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine
CID 103082894
4-methyl-N-(1-phenylpentyl)cyclohexan-1-amine
CID 43761510
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate
CID 107862557
tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate
CID 63303236
[1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene
CID 75387205

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol?
The IUPAC name of 4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol (CID 110010822) is 4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol.
What is the SMILES notation for 4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol?
The canonical SMILES for 4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol is CC(C)(C)OC1CC(NC(CCCO)c2ccccc2)C1.
What is the InChIKey of 4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol?
The InChIKey is VEPKODWKURBBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,3)21-16-12-15(13-16)19-17(10-7-11-20)14-8-5-4-6-9-14/h4-6,8-9,15-17,19-20H,7,10-13H2,1-3H3.
What are the key properties of 4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol?
4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol has a molecular weight of 291.43 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol is sourced from PubChem (CID 110010822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).