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

C16H25NO3 — CID 62516876

IUPAC1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol
SMILESOCC1(NCC(O)COCc2ccccc2)CCCC1
InChIInChI=1S/C16H25NO3/c18-13-16(8-4-5-9-16)17-10-15(19)12-20-11-14-6-2-1-3-7-14/h1-3,6-7,15,17-19H,4-5,8-13H2
InChIKeyNUSWSXQYBGPVHS-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.46
Rot. Bonds8

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

1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol (PubChem CID 62516876) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol
PubChem CID62516876
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol
SMILESOCC1(NCC(O)COCc2ccccc2)CCCC1
InChIInChI=1S/C16H25NO3/c18-13-16(8-4-5-9-16)17-10-15(19)12-20-11-14-6-2-1-3-7-14/h1-3,6-7,15,17-19H,4-5,8-13H2
InChIKeyNUSWSXQYBGPVHS-UHFFFAOYSA-N
XLogP1.46
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentyloxyamino)-3-phenylmethoxypropan-2-ol
CID 83229084
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol
CID 105416659
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320
1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
CID 172760983
CID 172760983
1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol
CID 103581260
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol
CID 81133438
1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid
CID 79425525
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol (CID 62516876) is 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol is OCC1(NCC(O)COCc2ccccc2)CCCC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is NUSWSXQYBGPVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c18-13-16(8-4-5-9-16)17-10-15(19)12-20-11-14-6-2-1-3-7-14/h1-3,6-7,15,17-19H,4-5,8-13H2.
What are the key properties of 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol?
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 62516876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).