(3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol

C17H27NO2 — CID 164626733

IUPAC(3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol
SMILESCC(C)OC1CC(NC[C@H](CCO)c2ccccc2)C1
InChIInChI=1S/C17H27NO2/c1-13(2)20-17-10-16(11-17)18-12-15(8-9-19)14-6-4-3-5-7-14/h3-7,13,15-19H,8-12H2,1-2H3/t15-,16?,17?/m0/s1
InChIKeyPMQUOCPLITVNMW-GTPINHCMSA-N
MW277.41 g/mol
LogP2.70
Rot. Bonds8

About (3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol

(3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol (PubChem CID 164626733) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol
PubChem CID164626733
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol
SMILESCC(C)OC1CC(NC[C@H](CCO)c2ccccc2)C1
InChIInChI=1S/C17H27NO2/c1-13(2)20-17-10-16(11-17)18-12-15(8-9-19)14-6-4-3-5-7-14/h3-7,13,15-19H,8-12H2,1-2H3/t15-,16?,17?/m0/s1
InChIKeyPMQUOCPLITVNMW-GTPINHCMSA-N
XLogP2.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol?
The IUPAC name of (3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol (CID 164626733) is (3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol.
What is the SMILES notation for (3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol?
The canonical SMILES for (3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol is CC(C)OC1CC(NC[C@H](CCO)c2ccccc2)C1.
What is the InChIKey of (3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol?
The InChIKey is PMQUOCPLITVNMW-GTPINHCMSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)20-17-10-16(11-17)18-12-15(8-9-19)14-6-4-3-5-7-14/h3-7,13,15-19H,8-12H2,1-2H3/t15-,16?,17?/m0/s1.
What are the key properties of (3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol?
(3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol is sourced from PubChem (CID 164626733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).