2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride

C10H17ClN2 — CID 68536204

IUPAC2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(CCN)cc1
InChIInChI=1S/C10H16N2.ClH/c11-7-5-9-1-2-10(4-3-9)6-8-12;/h1-4H,5-8,11-12H2;1H
InChIKeyNIWVHTYFBQDOQP-UHFFFAOYSA-N
MW200.71 g/mol
LogP1.11
Rot. Bonds4

About 2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride

2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride (PubChem CID 68536204) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
PubChem CID68536204
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(CCN)cc1
InChIInChI=1S/C10H16N2.ClH/c11-7-5-9-1-2-10(4-3-9)6-8-12;/h1-4H,5-8,11-12H2;1H
InChIKeyNIWVHTYFBQDOQP-UHFFFAOYSA-N
XLogP1.11
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride (CID 68536204) is 2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride is Cl.NCCc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride?
The InChIKey is NIWVHTYFBQDOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.ClH/c11-7-5-9-1-2-10(4-3-9)6-8-12;/h1-4H,5-8,11-12H2;1H.
What are the key properties of 2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride?
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride has a molecular weight of 200.71 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 68536204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).