1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol

C17H27NO2 — CID 81394514

IUPAC1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
SMILESC[C@@H](NCC(O)COCc1ccccc1)C1CCCC1
InChIInChI=1S/C17H27NO2/c1-14(16-9-5-6-10-16)18-11-17(19)13-20-12-15-7-3-2-4-8-15/h2-4,7-8,14,16-19H,5-6,9-13H2,1H3/t14-,17?/m1/s1
InChIKeyYENMDFZNXKEVDL-XPCCGILXSA-N
MW277.41 g/mol
LogP2.73
Rot. Bonds8

About 1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol

1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol (PubChem CID 81394514) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
PubChem CID81394514
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
SMILESC[C@@H](NCC(O)COCc1ccccc1)C1CCCC1
InChIInChI=1S/C17H27NO2/c1-14(16-9-5-6-10-16)18-11-17(19)13-20-12-15-7-3-2-4-8-15/h2-4,7-8,14,16-19H,5-6,9-13H2,1H3/t14-,17?/m1/s1
InChIKeyYENMDFZNXKEVDL-XPCCGILXSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol with MolForge

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 4851511
1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81388401
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857
1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol
CID 63995731
1-(cyclopentyloxyamino)-3-phenylmethoxypropan-2-ol
CID 83229084
1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 61469295
(Z)-but-2-enedioic acid;1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol
CID 20840550
1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 81395407
1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol
CID 81389982
1-(1-cyclohexylethylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55069456
1-(2-chlorophenoxy)-3-(1-cyclohexylethylamino)propan-2-ol
CID 62406462
1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol
CID 81388789

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol (CID 81394514) is 1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol is C[C@@H](NCC(O)COCc1ccccc1)C1CCCC1.
What is the InChIKey of 1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is YENMDFZNXKEVDL-XPCCGILXSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(16-9-5-6-10-16)18-11-17(19)13-20-12-15-7-3-2-4-8-15/h2-4,7-8,14,16-19H,5-6,9-13H2,1H3/t14-,17?/m1/s1.
What are the key properties of 1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol?
1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 81394514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).