1-[benzyl(2-methoxyethyl)amino]pentan-2-ol

C15H25NO2 — CID 24713640

IUPAC1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
SMILESCCCC(O)CN(CCOC)Cc1ccccc1
InChIInChI=1S/C15H25NO2/c1-3-7-15(17)13-16(10-11-18-2)12-14-8-5-4-6-9-14/h4-6,8-9,15,17H,3,7,10-13H2,1-2H3
InChIKeyMGDNQXMELKIZLG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.30
Rot. Bonds9

About 1-[benzyl(2-methoxyethyl)amino]pentan-2-ol

1-[benzyl(2-methoxyethyl)amino]pentan-2-ol (PubChem CID 24713640) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[benzyl(2-methoxyethyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
PubChem CID24713640
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
SMILESCCCC(O)CN(CCOC)Cc1ccccc1
InChIInChI=1S/C15H25NO2/c1-3-7-15(17)13-16(10-11-18-2)12-14-8-5-4-6-9-14/h4-6,8-9,15,17H,3,7,10-13H2,1-2H3
InChIKeyMGDNQXMELKIZLG-UHFFFAOYSA-N
XLogP2.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 42836990
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 93161426
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]pentan-2-ol
CID 93162073
(2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol
CID 25413639
(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 93161480
(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160726
1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682208
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93146968
(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93162983
(2R)-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]pentan-2-ol
CID 93116158
1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 24713590
(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 93160858

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(2-methoxyethyl)amino]pentan-2-ol?
The IUPAC name of 1-[benzyl(2-methoxyethyl)amino]pentan-2-ol (CID 24713640) is 1-[benzyl(2-methoxyethyl)amino]pentan-2-ol.
What is the SMILES notation for 1-[benzyl(2-methoxyethyl)amino]pentan-2-ol?
The canonical SMILES for 1-[benzyl(2-methoxyethyl)amino]pentan-2-ol is CCCC(O)CN(CCOC)Cc1ccccc1.
What is the InChIKey of 1-[benzyl(2-methoxyethyl)amino]pentan-2-ol?
The InChIKey is MGDNQXMELKIZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-7-15(17)13-16(10-11-18-2)12-14-8-5-4-6-9-14/h4-6,8-9,15,17H,3,7,10-13H2,1-2H3.
What are the key properties of 1-[benzyl(2-methoxyethyl)amino]pentan-2-ol?
1-[benzyl(2-methoxyethyl)amino]pentan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(2-methoxyethyl)amino]pentan-2-ol is sourced from PubChem (CID 24713640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).