3-(aminomethyl)phenol;ethane;ethylbenzene

C17H25NO — CID 144683707

IUPAC3-(aminomethyl)phenol;ethane;ethylbenzene
SMILESCC.CCc1ccccc1.NCc1cccc(O)c1
InChIInChI=1S/C8H10.C7H9NO.C2H6/c1-2-8-6-4-3-5-7-8;8-5-6-2-1-3-7(9)4-6;1-2/h3-7H,2H2,1H3;1-4,9H,5,8H2;1-2H3
InChIKeyAMQWMFHWYGZWQO-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.13
Rot. Bonds2

About 3-(aminomethyl)phenol;ethane;ethylbenzene

3-(aminomethyl)phenol;ethane;ethylbenzene (PubChem CID 144683707) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(aminomethyl)phenol;ethane;ethylbenzene.

Molecular Properties

Compound Name3-(aminomethyl)phenol;ethane;ethylbenzene
PubChem CID144683707
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-(aminomethyl)phenol;ethane;ethylbenzene
SMILESCC.CCc1ccccc1.NCc1cccc(O)c1
InChIInChI=1S/C8H10.C7H9NO.C2H6/c1-2-8-6-4-3-5-7-8;8-5-6-2-1-3-7(9)4-6;1-2/h3-7H,2H2,1H3;1-4,9H,5,8H2;1-2H3
InChIKeyAMQWMFHWYGZWQO-UHFFFAOYSA-N
XLogP4.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)phenol;ethane;ethylbenzene?
The IUPAC name of 3-(aminomethyl)phenol;ethane;ethylbenzene (CID 144683707) is 3-(aminomethyl)phenol;ethane;ethylbenzene.
What is the SMILES notation for 3-(aminomethyl)phenol;ethane;ethylbenzene?
The canonical SMILES for 3-(aminomethyl)phenol;ethane;ethylbenzene is CC.CCc1ccccc1.NCc1cccc(O)c1.
What is the InChIKey of 3-(aminomethyl)phenol;ethane;ethylbenzene?
The InChIKey is AMQWMFHWYGZWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H9NO.C2H6/c1-2-8-6-4-3-5-7-8;8-5-6-2-1-3-7(9)4-6;1-2/h3-7H,2H2,1H3;1-4,9H,5,8H2;1-2H3.
What are the key properties of 3-(aminomethyl)phenol;ethane;ethylbenzene?
3-(aminomethyl)phenol;ethane;ethylbenzene has a molecular weight of 259.39 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)phenol;ethane;ethylbenzene is sourced from PubChem (CID 144683707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).