2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride

C8H12Cl2N2 — CID 171214203

IUPAC2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
SMILESC[C@@H](N)c1cc(Cl)ccc1N.Cl
InChIInChI=1S/C8H11ClN2.ClH/c1-5(10)7-4-6(9)2-3-8(7)11;/h2-5H,10-11H2,1H3;1H/t5-;/m1./s1
InChIKeyONLHWZKRMICZFM-NUBCRITNSA-N
MW207.10 g/mol
LogP2.36
Rot. Bonds1

About 2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride

2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride (PubChem CID 171214203) has the molecular formula C8H12Cl2N2 and a molecular weight of 207.10 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
PubChem CID171214203
Molecular FormulaC8H12Cl2N2
Molecular Weight207.10 g/mol
Exact Mass206.04
IUPAC Name2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
SMILESC[C@@H](N)c1cc(Cl)ccc1N.Cl
InChIInChI=1S/C8H11ClN2.ClH/c1-5(10)7-4-6(9)2-3-8(7)11;/h2-5H,10-11H2,1H3;1H/t5-;/m1./s1
InChIKeyONLHWZKRMICZFM-NUBCRITNSA-N
XLogP2.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline
CID 130615780
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
(1R,2S)-1-amino-1-(2-amino-5-chlorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171265300
(3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol
CID 131144046
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
(1R,2S)-1-amino-1-(2-amino-5-chlorophenyl)-3-methylpentan-2-ol
CID 171265293
2-(1-aminoprop-2-enyl)-4-chloroaniline
CID 55283411
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]-4-chloroaniline;hydrochloride
CID 171311959
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride?
The IUPAC name of 2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride (CID 171214203) is 2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride is C[C@@H](N)c1cc(Cl)ccc1N.Cl.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride?
The InChIKey is ONLHWZKRMICZFM-NUBCRITNSA-N. The full InChI is InChI=1S/C8H11ClN2.ClH/c1-5(10)7-4-6(9)2-3-8(7)11;/h2-5H,10-11H2,1H3;1H/t5-;/m1./s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride?
2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride has a molecular weight of 207.10 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride is sourced from PubChem (CID 171214203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).