1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol

C15H23NO3 — CID 106360731

IUPAC1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol
SMILESOCC1CCCC1NCC(O)COc1ccccc1
InChIInChI=1S/C15H23NO3/c17-10-12-5-4-8-15(12)16-9-13(18)11-19-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-18H,4-5,8-11H2
InChIKeySRIXJWRLUFAJID-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.18
Rot. Bonds7

About 1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol

1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol (PubChem CID 106360731) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol
PubChem CID106360731
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol
SMILESOCC1CCCC1NCC(O)COc1ccccc1
InChIInChI=1S/C15H23NO3/c17-10-12-5-4-8-15(12)16-9-13(18)11-19-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-18H,4-5,8-11H2
InChIKeySRIXJWRLUFAJID-UHFFFAOYSA-N
XLogP1.18
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-phenoxyethylamino)cyclopentyl]methanol
CID 106360671
(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 92520942
1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
CID 106360589
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 62088573
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-(2-chlorophenyl)-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 106360636
N-[(1R,2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]cyclopropyl]-2-methylpropanamide
CID 10541687
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632231
1-[(2,2-dimethyloxan-4-yl)amino]-3-phenoxypropan-2-ol
CID 13202185

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol (CID 106360731) is 1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol is OCC1CCCC1NCC(O)COc1ccccc1.
What is the InChIKey of 1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol?
The InChIKey is SRIXJWRLUFAJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-10-12-5-4-8-15(12)16-9-13(18)11-19-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-18H,4-5,8-11H2.
What are the key properties of 1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol?
1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 106360731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).