3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride

C10H15Cl2NO2 — CID 156721931

IUPAC3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride
SMILESCOCCOc1cc(N)cc(Cl)c1C.Cl
InChIInChI=1S/C10H14ClNO2.ClH/c1-7-9(11)5-8(12)6-10(7)14-4-3-13-2;/h5-6H,3-4,12H2,1-2H3;1H
InChIKeyCWTAYTIOZWBEHQ-UHFFFAOYSA-N
MW252.14 g/mol
LogP2.68
Rot. Bonds4

About 3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride

3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride (PubChem CID 156721931) has the molecular formula C10H15Cl2NO2 and a molecular weight of 252.14 g/mol. Its IUPAC name is 3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride.

Molecular Properties

Compound Name3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride
PubChem CID156721931
Molecular FormulaC10H15Cl2NO2
Molecular Weight252.14 g/mol
Exact Mass251.05
IUPAC Name3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride
SMILESCOCCOc1cc(N)cc(Cl)c1C.Cl
InChIInChI=1S/C10H14ClNO2.ClH/c1-7-9(11)5-8(12)6-10(7)14-4-3-13-2;/h5-6H,3-4,12H2,1-2H3;1H
InChIKeyCWTAYTIOZWBEHQ-UHFFFAOYSA-N
XLogP2.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline
CID 166159167
5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide
CID 104559989
(5-amino-3-chloro-2-methylphenoxy)methyl pyrrolidine-1-carboxylate
CID 166074469
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 107198154
2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 106890000
3-bromo-5-(2-methoxyethoxy)aniline
CID 103588174
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine
CID 106890231
1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene
CID 141259276
3-chloro-4,5-diethoxyaniline
CID 13335752
4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine
CID 159595440

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride?
The IUPAC name of 3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride (CID 156721931) is 3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride.
What is the SMILES notation for 3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride?
The canonical SMILES for 3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride is COCCOc1cc(N)cc(Cl)c1C.Cl.
What is the InChIKey of 3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride?
The InChIKey is CWTAYTIOZWBEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2.ClH/c1-7-9(11)5-8(12)6-10(7)14-4-3-13-2;/h5-6H,3-4,12H2,1-2H3;1H.
What are the key properties of 3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride?
3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride has a molecular weight of 252.14 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride is sourced from PubChem (CID 156721931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).