1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol

C18H29NO3 — CID 24713843

IUPAC1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol
SMILESCCCC(O)CN(Cc1cccc(OC)c1)CC1CCCO1
InChIInChI=1S/C18H29NO3/c1-3-6-16(20)13-19(14-18-9-5-10-22-18)12-15-7-4-8-17(11-15)21-2/h4,7-8,11,16,18,20H,3,5-6,9-10,12-14H2,1-2H3
InChIKeyMYGGXZCIXBHCFE-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.84
Rot. Bonds9

About 1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol

1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol (PubChem CID 24713843) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol
PubChem CID24713843
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol
SMILESCCCC(O)CN(Cc1cccc(OC)c1)CC1CCCO1
InChIInChI=1S/C18H29NO3/c1-3-6-16(20)13-19(14-18-9-5-10-22-18)12-15-7-4-8-17(11-15)21-2/h4,7-8,11,16,18,20H,3,5-6,9-10,12-14H2,1-2H3
InChIKeyMYGGXZCIXBHCFE-UHFFFAOYSA-N
XLogP2.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(3-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 129423214
(2S)-1-[(3-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162908
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]pentan-2-ol
CID 93162073
(2S)-1-[(3-methylphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 93163081
(2R)-1-[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129419580
(2R)-1-[(4-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93160616
(2S)-1-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]pentan-2-ol
CID 93218323
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124591748
N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide
CID 87894906
1-[benzyl(oxolan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713650
5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120899271
1-[(3,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 46006945

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol?
The IUPAC name of 1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol (CID 24713843) is 1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol is CCCC(O)CN(Cc1cccc(OC)c1)CC1CCCO1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol?
The InChIKey is MYGGXZCIXBHCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-3-6-16(20)13-19(14-18-9-5-10-22-18)12-15-7-4-8-17(11-15)21-2/h4,7-8,11,16,18,20H,3,5-6,9-10,12-14H2,1-2H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol?
1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol has a molecular weight of 307.43 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol is sourced from PubChem (CID 24713843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).