4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol

C12H19ClN2O — CID 107466176

IUPAC4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol
SMILESCN(CCC(C)(C)O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H19ClN2O/c1-12(2,16)6-7-15(3)11-8-9(13)4-5-10(11)14/h4-5,8,16H,6-7,14H2,1-3H3
InChIKeySSMYXASYZPCTRA-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.52
Rot. Bonds4

About 4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol

4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol (PubChem CID 107466176) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol
PubChem CID107466176
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol
SMILESCN(CCC(C)(C)O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H19ClN2O/c1-12(2,16)6-7-15(3)11-8-9(13)4-5-10(11)14/h4-5,8,16H,6-7,14H2,1-3H3
InChIKeySSMYXASYZPCTRA-UHFFFAOYSA-N
XLogP2.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468988
1-N-(5-chloro-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 117028791
2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
CID 115468609
4-chloro-2-N-methyl-2-N-(3-phenylpropyl)benzene-1,2-diamine
CID 115468658
4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol
CID 79356009
4-chloro-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)benzene-1,2-diamine
CID 107466001
1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200543
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide
CID 107466016
4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466040
4-chloro-2-N-(3-imidazol-1-ylpropyl)-2-N-methylbenzene-1,2-diamine
CID 107466060
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol?
The IUPAC name of 4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol (CID 107466176) is 4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol is CN(CCC(C)(C)O)c1cc(Cl)ccc1N.
What is the InChIKey of 4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol?
The InChIKey is SSMYXASYZPCTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-12(2,16)6-7-15(3)11-8-9(13)4-5-10(11)14/h4-5,8,16H,6-7,14H2,1-3H3.
What are the key properties of 4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol?
4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol has a molecular weight of 242.75 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 107466176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).