1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol

C14H21NO2 — CID 104589300

IUPAC1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol
SMILESCOC1CC(NCC(C)(O)c2ccccc2)C1
InChIInChI=1S/C14H21NO2/c1-14(16,11-6-4-3-5-7-11)10-15-12-8-13(9-12)17-2/h3-7,12-13,15-16H,8-10H2,1-2H3
InChIKeyKFQMGPGRUUWRGD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds5

About 1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol

1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol (PubChem CID 104589300) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol
PubChem CID104589300
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol
SMILESCOC1CC(NCC(C)(O)c2ccccc2)C1
InChIInChI=1S/C14H21NO2/c1-14(16,11-6-4-3-5-7-11)10-15-12-8-13(9-12)17-2/h3-7,12-13,15-16H,8-10H2,1-2H3
InChIKeyKFQMGPGRUUWRGD-UHFFFAOYSA-N
XLogP1.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 111466864
1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 62773017
2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol
CID 62374506
1-(cyclopentylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 115002997
1-[(2-methylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 63277919
2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol
CID 110021905
1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol
CID 167861534
1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol
CID 113290123
1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 113428863
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
CID 173355754
2-(3-chlorophenyl)-1-(cyclopentylamino)propan-2-ol
CID 119107466

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol (CID 104589300) is 1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol is COC1CC(NCC(C)(O)c2ccccc2)C1.
What is the InChIKey of 1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol?
The InChIKey is KFQMGPGRUUWRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(16,11-6-4-3-5-7-11)10-15-12-8-13(9-12)17-2/h3-7,12-13,15-16H,8-10H2,1-2H3.
What are the key properties of 1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol?
1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 104589300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).