2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride

C9H13Cl2NO — CID 54595525

IUPAC2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
SMILESCOC(CN)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-12-9(6-11)7-2-4-8(10)5-3-7;/h2-5,9H,6,11H2,1H3;1H
InChIKeyDZGCAMKWGIAFGW-UHFFFAOYSA-N
MW222.12 g/mol
LogP2.41
Rot. Bonds3

About 2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride

2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride (PubChem CID 54595525) has the molecular formula C9H13Cl2NO and a molecular weight of 222.12 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
PubChem CID54595525
Molecular FormulaC9H13Cl2NO
Molecular Weight222.12 g/mol
Exact Mass221.04
IUPAC Name2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
SMILESCOC(CN)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-12-9(6-11)7-2-4-8(10)5-3-7;/h2-5,9H,6,11H2,1H3;1H
InChIKeyDZGCAMKWGIAFGW-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine
CID 66070724
2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103176974
(5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol
CID 67179417
2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine
CID 102605646
1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine
CID 167921657
(3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide
CID 125467780
2-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)ethanamine
CID 65124981
3-(4-chlorophenyl)-3-methoxypropanenitrile;iodomethane
CID 126752025
2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
CID 103486931
4-(2-amino-1-methoxyethyl)benzene-1,2-diol
CID 54042907
2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine
CID 55015152

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride (CID 54595525) is 2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride is COC(CN)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride?
The InChIKey is DZGCAMKWGIAFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c1-12-9(6-11)7-2-4-8(10)5-3-7;/h2-5,9H,6,11H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride?
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride has a molecular weight of 222.12 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride is sourced from PubChem (CID 54595525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).