2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol

C14H22ClNO2 — CID 81419012

IUPAC2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol
SMILESCCOc1ccc(Cl)cc1NCC(C)(CC)CO
InChIInChI=1S/C14H22ClNO2/c1-4-14(3,10-17)9-16-12-8-11(15)6-7-13(12)18-5-2/h6-8,16-17H,4-5,9-10H2,1-3H3
InChIKeyTYZOFTVRUHNEGK-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.56
Rot. Bonds7

About 2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol

2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol (PubChem CID 81419012) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol
PubChem CID81419012
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol
SMILESCCOc1ccc(Cl)cc1NCC(C)(CC)CO
InChIInChI=1S/C14H22ClNO2/c1-4-14(3,10-17)9-16-12-8-11(15)6-7-13(12)18-5-2/h6-8,16-17H,4-5,9-10H2,1-3H3
InChIKeyTYZOFTVRUHNEGK-UHFFFAOYSA-N
XLogP3.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-chloro-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzoate
CID 81412886
2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428
3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
CID 64683487
2-[(4-chloro-2-nitroanilino)methyl]-2-methylbutan-1-ol
CID 81412428
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline
CID 114842110
2-[[5-chloro-2-(1,2,4-triazol-1-yl)anilino]methyl]-2-methylbutan-1-ol
CID 81412888
5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline
CID 63451120
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
5-chloro-2-ethoxy-N-(2-methylpentyl)aniline
CID 63451076
3-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865545
5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132956
3-[(5-chloro-2-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319929

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol (CID 81419012) is 2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol is CCOc1ccc(Cl)cc1NCC(C)(CC)CO.
What is the InChIKey of 2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol?
The InChIKey is TYZOFTVRUHNEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-14(3,10-17)9-16-12-8-11(15)6-7-13(12)18-5-2/h6-8,16-17H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol?
2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81419012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).