4-(aminomethyl)phenol;ethane;tungsten;hydrate

C9H17NO2W — CID 169128634

IUPAC4-(aminomethyl)phenol;ethane;tungsten;hydrate
SMILESCC.NCc1ccc(O)cc1.O.[W]
InChIInChI=1S/C7H9NO.C2H6.H2O.W/c8-5-6-1-3-7(9)4-2-6;1-2;;/h1-4,9H,5,8H2;1-2H3;1H2;
InChIKeyNYEACDFQJUBGDW-UHFFFAOYSA-N
MW355.08 g/mol
LogP1.05
Rot. Bonds1

About 4-(aminomethyl)phenol;ethane;tungsten;hydrate

4-(aminomethyl)phenol;ethane;tungsten;hydrate (PubChem CID 169128634) has the molecular formula C9H17NO2W and a molecular weight of 355.08 g/mol. Its IUPAC name is 4-(aminomethyl)phenol;ethane;tungsten;hydrate.

Molecular Properties

Compound Name4-(aminomethyl)phenol;ethane;tungsten;hydrate
PubChem CID169128634
Molecular FormulaC9H17NO2W
Molecular Weight355.08 g/mol
Exact Mass355.08
IUPAC Name4-(aminomethyl)phenol;ethane;tungsten;hydrate
SMILESCC.NCc1ccc(O)cc1.O.[W]
InChIInChI=1S/C7H9NO.C2H6.H2O.W/c8-5-6-1-3-7(9)4-2-6;1-2;;/h1-4,9H,5,8H2;1-2H3;1H2;
InChIKeyNYEACDFQJUBGDW-UHFFFAOYSA-N
XLogP1.05
TPSA77.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.08
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[4-(aminomethyl)phenyl]-2-methylpropyl]phenol
CID 174702747
4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol
CID 174786387
ethane;(4-fluorophenyl)methanamine
CID 142071105
ethane;4-(phosphanylmethyl)phenol
CID 144577973
bis(4-chlorophenol);phenylmethanamine
CID 70600603
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
4-[5-(aminomethyl)-2-methylphenyl]phenol
CID 82508624
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 81090221
4-(hydroxymethyl)phenol;hydrate
CID 141133894
[4-(bromomethyl)phenyl]methanamine
CID 24721042
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)phenol;ethane;tungsten;hydrate?
The IUPAC name of 4-(aminomethyl)phenol;ethane;tungsten;hydrate (CID 169128634) is 4-(aminomethyl)phenol;ethane;tungsten;hydrate.
What is the SMILES notation for 4-(aminomethyl)phenol;ethane;tungsten;hydrate?
The canonical SMILES for 4-(aminomethyl)phenol;ethane;tungsten;hydrate is CC.NCc1ccc(O)cc1.O.[W].
What is the InChIKey of 4-(aminomethyl)phenol;ethane;tungsten;hydrate?
The InChIKey is NYEACDFQJUBGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.C2H6.H2O.W/c8-5-6-1-3-7(9)4-2-6;1-2;;/h1-4,9H,5,8H2;1-2H3;1H2;.
What are the key properties of 4-(aminomethyl)phenol;ethane;tungsten;hydrate?
4-(aminomethyl)phenol;ethane;tungsten;hydrate has a molecular weight of 355.08 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)phenol;ethane;tungsten;hydrate is sourced from PubChem (CID 169128634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).