3-(2-aminoethyl)phenol;thiourea

C9H15N3OS — CID 159787139

IUPAC3-(2-aminoethyl)phenol;thiourea
SMILESNC(N)=S.NCCc1cccc(O)c1
InChIInChI=1S/C8H11NO.CH4N2S/c9-5-4-7-2-1-3-8(10)6-7;2-1(3)4/h1-3,6,10H,4-5,9H2;(H4,2,3,4)
InChIKeyNICANHVZYQBTIV-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.08
Rot. Bonds2

About 3-(2-aminoethyl)phenol;thiourea

3-(2-aminoethyl)phenol;thiourea (PubChem CID 159787139) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-(2-aminoethyl)phenol;thiourea.

Molecular Properties

Compound Name3-(2-aminoethyl)phenol;thiourea
PubChem CID159787139
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-(2-aminoethyl)phenol;thiourea
SMILESNC(N)=S.NCCc1cccc(O)c1
InChIInChI=1S/C8H11NO.CH4N2S/c9-5-4-7-2-1-3-8(10)6-7;2-1(3)4/h1-3,6,10H,4-5,9H2;(H4,2,3,4)
InChIKeyNICANHVZYQBTIV-UHFFFAOYSA-N
XLogP0.08
TPSA98.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-[4-amino-3-(aminomethyl)butyl]phenol
CID 83930255
2-[3-(2-aminoethyl)phenyl]ethanol
CID 2749894
3-(2-aminooxyethyl)phenol
CID 83479668
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
CID 23050674
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
3-(4-hydroxybutyl)phenol
CID 19991537
2-(3-hydroxyphenyl)ethylboronic acid
CID 55255673
3-(3-sulfanylpropyl)phenol
CID 57206434
3-(3-amino-3-methylbutyl)phenol
CID 19863682
3-(4-iodobutyl)phenol
CID 174588102

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)phenol;thiourea?
The IUPAC name of 3-(2-aminoethyl)phenol;thiourea (CID 159787139) is 3-(2-aminoethyl)phenol;thiourea.
What is the SMILES notation for 3-(2-aminoethyl)phenol;thiourea?
The canonical SMILES for 3-(2-aminoethyl)phenol;thiourea is NC(N)=S.NCCc1cccc(O)c1.
What is the InChIKey of 3-(2-aminoethyl)phenol;thiourea?
The InChIKey is NICANHVZYQBTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.CH4N2S/c9-5-4-7-2-1-3-8(10)6-7;2-1(3)4/h1-3,6,10H,4-5,9H2;(H4,2,3,4).
What are the key properties of 3-(2-aminoethyl)phenol;thiourea?
3-(2-aminoethyl)phenol;thiourea has a molecular weight of 213.31 g/mol, XLogP of 0.08, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)phenol;thiourea is sourced from PubChem (CID 159787139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).