(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol

C19H31NO2 — CID 2304367

IUPAC(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol
SMILESCc1ccc(OC[C@H](O)CNC2CCCC2)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO2/c1-14-9-10-18(17(11-14)19(2,3)4)22-13-16(21)12-20-15-7-5-6-8-15/h9-11,15-16,20-21H,5-8,12-13H2,1-4H3/t16-/m1/s1
InChIKeyZQAFYIPTBRQAKV-MRXNPFEDSA-N
MW305.46 g/mol
LogP3.56
Rot. Bonds6

About (2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol

(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol (PubChem CID 2304367) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol
PubChem CID2304367
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol
SMILESCc1ccc(OC[C@H](O)CNC2CCCC2)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO2/c1-14-9-10-18(17(11-14)19(2,3)4)22-13-16(21)12-20-15-7-5-6-8-15/h9-11,15-16,20-21H,5-8,12-13H2,1-4H3/t16-/m1/s1
InChIKeyZQAFYIPTBRQAKV-MRXNPFEDSA-N
XLogP3.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
1-(2-tert-butyl-4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 22419817
1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43343245
(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 34886987
(2S)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767533
(2R)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767536
1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 60633338
1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593407
(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 34065364
1-(2-tert-butyl-4-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 23804578
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]cyclopropanamine
CID 29016012
1-(2-tert-butyl-4-methylphenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3416270

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol?
The IUPAC name of (2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol (CID 2304367) is (2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol is Cc1ccc(OC[C@H](O)CNC2CCCC2)c(C(C)(C)C)c1.
What is the InChIKey of (2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol?
The InChIKey is ZQAFYIPTBRQAKV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31NO2/c1-14-9-10-18(17(11-14)19(2,3)4)22-13-16(21)12-20-15-7-5-6-8-15/h9-11,15-16,20-21H,5-8,12-13H2,1-4H3/t16-/m1/s1.
What are the key properties of (2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol?
(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol has a molecular weight of 305.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol is sourced from PubChem (CID 2304367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).