formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol

C18H31NO2 — CID 145109835

IUPACformaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol
SMILESC=O.CCCCC(CO)CCCc1cc(NC)ccc1C
InChIInChI=1S/C17H29NO.CH2O/c1-4-5-7-15(13-19)8-6-9-16-12-17(18-3)11-10-14(16)2;1-2/h10-12,15,18-19H,4-9,13H2,1-3H3;1H2
InChIKeyCHHOYHGCIBGMJA-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.97
Rot. Bonds9

About formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol

formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol (PubChem CID 145109835) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol.

Molecular Properties

Compound Nameformaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol
PubChem CID145109835
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Nameformaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol
SMILESC=O.CCCCC(CO)CCCc1cc(NC)ccc1C
InChIInChI=1S/C17H29NO.CH2O/c1-4-5-7-15(13-19)8-6-9-16-12-17(18-3)11-10-14(16)2;1-2/h10-12,15,18-19H,4-9,13H2,1-3H3;1H2
InChIKeyCHHOYHGCIBGMJA-UHFFFAOYSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol?
The IUPAC name of formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol (CID 145109835) is formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol.
What is the SMILES notation for formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol?
The canonical SMILES for formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol is C=O.CCCCC(CO)CCCc1cc(NC)ccc1C.
What is the InChIKey of formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol?
The InChIKey is CHHOYHGCIBGMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO.CH2O/c1-4-5-7-15(13-19)8-6-9-16-12-17(18-3)11-10-14(16)2;1-2/h10-12,15,18-19H,4-9,13H2,1-3H3;1H2.
What are the key properties of formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol?
formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol is sourced from PubChem (CID 145109835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).