formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol

C16H27NO3 — CID 178018930

IUPACformaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol
SMILESC=O.CNCCCC(C)(CO)COCc1ccccc1
InChIInChI=1S/C15H25NO2.CH2O/c1-15(12-17,9-6-10-16-2)13-18-11-14-7-4-3-5-8-14;1-2/h3-5,7-8,16-17H,6,9-13H2,1-2H3;1H2
InChIKeySCQROJGHENQNPC-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.02
Rot. Bonds9

About formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol

formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol (PubChem CID 178018930) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol.

Molecular Properties

Compound Nameformaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol
PubChem CID178018930
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameformaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol
SMILESC=O.CNCCCC(C)(CO)COCc1ccccc1
InChIInChI=1S/C15H25NO2.CH2O/c1-15(12-17,9-6-10-16-2)13-18-11-14-7-4-3-5-8-14;1-2/h3-5,7-8,16-17H,6,9-13H2,1-2H3;1H2
InChIKeySCQROJGHENQNPC-UHFFFAOYSA-N
XLogP2.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol
CID 15348373
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
CID 166487361
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
3,3-dimethyl-4-phenylmethoxybutan-1-amine
CID 122238724
2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol
CID 165127154
1-(methylamino)-6-phenylmethoxyhexan-3-one
CID 130588813
N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940499
2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
CID 720755

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol?
The IUPAC name of formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol (CID 178018930) is formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol.
What is the SMILES notation for formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol?
The canonical SMILES for formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol is C=O.CNCCCC(C)(CO)COCc1ccccc1.
What is the InChIKey of formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol?
The InChIKey is SCQROJGHENQNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2.CH2O/c1-15(12-17,9-6-10-16-2)13-18-11-14-7-4-3-5-8-14;1-2/h3-5,7-8,16-17H,6,9-13H2,1-2H3;1H2.
What are the key properties of formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol?
formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol is sourced from PubChem (CID 178018930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).