2-(1-aminoethyl)-4-chlorophenol;hydrochloride

C8H11Cl2NO — CID 146014077

IUPAC2-(1-aminoethyl)-4-chlorophenol;hydrochloride
SMILESCC(N)c1cc(Cl)ccc1O.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-5(10)7-4-6(9)2-3-8(7)11;/h2-5,11H,10H2,1H3;1H
InChIKeyQRNFYRXBPHNDKH-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.49
Rot. Bonds1

About 2-(1-aminoethyl)-4-chlorophenol;hydrochloride

2-(1-aminoethyl)-4-chlorophenol;hydrochloride (PubChem CID 146014077) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-chlorophenol;hydrochloride.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-chlorophenol;hydrochloride
PubChem CID146014077
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name2-(1-aminoethyl)-4-chlorophenol;hydrochloride
SMILESCC(N)c1cc(Cl)ccc1O.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-5(10)7-4-6(9)2-3-8(7)11;/h2-5,11H,10H2,1H3;1H
InChIKeyQRNFYRXBPHNDKH-UHFFFAOYSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
CID 171214203
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol
CID 131224816
2-[(1S)-1-aminoethyl]-4,5-dichlorophenol
CID 96708426
methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride
CID 171217153
4-chloro-2-[(1R)-1,2-diaminoethyl]phenol
CID 66516717
4-chloro-2-[(1S)-1-(methylamino)ethyl]phenol
CID 94343743
2-[(1S)-1-amino-4-hydroxybutyl]-4-chlorophenol
CID 171217158
2-[(1S)-1-aminoethyl]-4-sulfanylphenol
CID 130635425
2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde
CID 91013936
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140
2-(1-aminopentyl)-4-chlorophenol
CID 155888158

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-chlorophenol;hydrochloride?
The IUPAC name of 2-(1-aminoethyl)-4-chlorophenol;hydrochloride (CID 146014077) is 2-(1-aminoethyl)-4-chlorophenol;hydrochloride.
What is the SMILES notation for 2-(1-aminoethyl)-4-chlorophenol;hydrochloride?
The canonical SMILES for 2-(1-aminoethyl)-4-chlorophenol;hydrochloride is CC(N)c1cc(Cl)ccc1O.Cl.
What is the InChIKey of 2-(1-aminoethyl)-4-chlorophenol;hydrochloride?
The InChIKey is QRNFYRXBPHNDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.ClH/c1-5(10)7-4-6(9)2-3-8(7)11;/h2-5,11H,10H2,1H3;1H.
What are the key properties of 2-(1-aminoethyl)-4-chlorophenol;hydrochloride?
2-(1-aminoethyl)-4-chlorophenol;hydrochloride has a molecular weight of 208.09 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-chlorophenol;hydrochloride is sourced from PubChem (CID 146014077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).