1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol

C13H21ClN2O — CID 20748857

IUPAC1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol
SMILESCc1c(C)c(NCC(O)CCl)c(C)c(C)c1N
InChIInChI=1S/C13H21ClN2O/c1-7-9(3)13(16-6-11(17)5-14)10(4)8(2)12(7)15/h11,16-17H,5-6,15H2,1-4H3
InChIKeyYDRHWBCXBXNOBJ-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.51
Rot. Bonds4

About 1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol

1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol (PubChem CID 20748857) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol
PubChem CID20748857
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol
SMILESCc1c(C)c(NCC(O)CCl)c(C)c(C)c1N
InChIInChI=1S/C13H21ClN2O/c1-7-9(3)13(16-6-11(17)5-14)10(4)8(2)12(7)15/h11,16-17H,5-6,15H2,1-4H3
InChIKeyYDRHWBCXBXNOBJ-UHFFFAOYSA-N
XLogP2.51
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol
CID 168636697
1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 168637700
1-chloro-3-hydrazinylpropan-2-ol
CID 156701816
3-(2,3,5,6-tetramethylanilino)propane-1,2-diol
CID 115121873
N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide
CID 168638082
1-chloro-3-(2-chloro-4-fluoro-3-methylanilino)propan-2-ol
CID 168640198
1-(3-bromo-4-chloro-5-methylanilino)-3-chloropropan-2-ol
CID 168638620
1-(4-bromo-2-chloro-3-methylanilino)-3-chloropropan-2-ol
CID 168638658
4-[(3-chloro-2-hydroxypropyl)amino]-3-methylnaphthalene-2-carboxylic acid
CID 168640761
1-chloro-3-(2-chloro-3-methyl-5-methylsulfonylanilino)propan-2-ol
CID 168638776
1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol
CID 168638013
(2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol
CID 12624614

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol?
The IUPAC name of 1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol (CID 20748857) is 1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol.
What is the SMILES notation for 1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol?
The canonical SMILES for 1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol is Cc1c(C)c(NCC(O)CCl)c(C)c(C)c1N.
What is the InChIKey of 1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol?
The InChIKey is YDRHWBCXBXNOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-7-9(3)13(16-6-11(17)5-14)10(4)8(2)12(7)15/h11,16-17H,5-6,15H2,1-4H3.
What are the key properties of 1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol?
1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol has a molecular weight of 256.78 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol is sourced from PubChem (CID 20748857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).