1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol

C16H24BrNO2 — CID 81395650

IUPAC1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COc1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C16H24BrNO2/c1-12(13-4-2-3-5-13)18-10-15(19)11-20-16-8-6-14(17)7-9-16/h6-9,12-13,15,18-19H,2-5,10-11H2,1H3/t12-,15?/m1/s1
InChIKeyQCAJPKUUNWIPFS-KEKZHRQWSA-N
MW342.28 g/mol
LogP3.36
Rot. Bonds7

About 1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol

1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol (PubChem CID 81395650) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
PubChem CID81395650
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COc1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C16H24BrNO2/c1-12(13-4-2-3-5-13)18-10-15(19)11-20-16-8-6-14(17)7-9-16/h6-9,12-13,15,18-19H,2-5,10-11H2,1H3/t12-,15?/m1/s1
InChIKeyQCAJPKUUNWIPFS-KEKZHRQWSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
CID 54938847
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol
CID 81389982
1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632582
1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol
CID 115627467
1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 81395407
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol
CID 81388789
1-(2-chlorophenoxy)-3-(1-cyclohexylethylamino)propan-2-ol
CID 62406462
(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 39840286
1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol (CID 81395650) is 1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol is C[C@@H](NCC(O)COc1ccc(Br)cc1)C1CCCC1.
What is the InChIKey of 1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol?
The InChIKey is QCAJPKUUNWIPFS-KEKZHRQWSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-12(13-4-2-3-5-13)18-10-15(19)11-20-16-8-6-14(17)7-9-16/h6-9,12-13,15,18-19H,2-5,10-11H2,1H3/t12-,15?/m1/s1.
What are the key properties of 1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol?
1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol has a molecular weight of 342.28 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol is sourced from PubChem (CID 81395650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).