2-[3-(2-aminoethyl)phenyl]ethanimidamide

C10H15N3 — CID 55252678

IUPAC2-[3-(2-aminoethyl)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1cccc(CCN)c1
InChIInChI=1S/C10H15N3/c11-5-4-8-2-1-3-9(6-8)7-10(12)13/h1-3,6H,4-5,7,11H2,(H3,12,13)
InChIKeyUNIJOGNHVUNXEM-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.67
Rot. Bonds4

About 2-[3-(2-aminoethyl)phenyl]ethanimidamide

2-[3-(2-aminoethyl)phenyl]ethanimidamide (PubChem CID 55252678) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)phenyl]ethanimidamide
PubChem CID55252678
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-[3-(2-aminoethyl)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1cccc(CCN)c1
InChIInChI=1S/C10H15N3/c11-5-4-8-2-1-3-9(6-8)7-10(12)13/h1-3,6H,4-5,7,11H2,(H3,12,13)
InChIKeyUNIJOGNHVUNXEM-UHFFFAOYSA-N
XLogP0.67
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-phenylethanimidamide
CID 27787
2-[3-(2-aminoethyl)phenyl]acetic acid
CID 18403500
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-[3-(2-aminoethyl)phenyl]ethanol
CID 2749894
2-(3-ethoxyphenyl)ethanimidamide
CID 4114058
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
[1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium
CID 140688166
3-(2-amino-2-iminoethyl)benzamide;methyl 3-(2-amino-2-iminoethyl)benzoate;dihydrochloride
CID 86672754
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
3-(2-aminoethyl)phenol;thiourea
CID 159787139
2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
CID 1392718
2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide
CID 91756255

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)phenyl]ethanimidamide?
The IUPAC name of 2-[3-(2-aminoethyl)phenyl]ethanimidamide (CID 55252678) is 2-[3-(2-aminoethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-[3-(2-aminoethyl)phenyl]ethanimidamide is [H]/N=C(\N)Cc1cccc(CCN)c1.
What is the InChIKey of 2-[3-(2-aminoethyl)phenyl]ethanimidamide?
The InChIKey is UNIJOGNHVUNXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c11-5-4-8-2-1-3-9(6-8)7-10(12)13/h1-3,6H,4-5,7,11H2,(H3,12,13).
What are the key properties of 2-[3-(2-aminoethyl)phenyl]ethanimidamide?
2-[3-(2-aminoethyl)phenyl]ethanimidamide has a molecular weight of 177.25 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)phenyl]ethanimidamide is sourced from PubChem (CID 55252678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).