2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol

C14H22ClNO — CID 81419672

IUPAC2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1c(C)cccc1Cl
InChIInChI=1S/C14H22ClNO/c1-4-14(5-2,10-17)9-16-13-11(3)7-6-8-12(13)15/h6-8,16-17H,4-5,9-10H2,1-3H3
InChIKeyOSQLCGUCYWNFSF-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.86
Rot. Bonds6

About 2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol

2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol (PubChem CID 81419672) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol
PubChem CID81419672
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1c(C)cccc1Cl
InChIInChI=1S/C14H22ClNO/c1-4-14(5-2,10-17)9-16-13-11(3)7-6-8-12(13)15/h6-8,16-17H,4-5,9-10H2,1-3H3
InChIKeyOSQLCGUCYWNFSF-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
3-(2,6-dichloroanilino)-2,2-dimethylpropan-1-ol
CID 81411469
3-(2-chloro-6-methylanilino)propan-1-ol
CID 18324834
ethyl 2-(2-chloro-6-methylanilino)acetate
CID 66252153
2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81410986
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922
N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide
CID 66254759
2-[(3-chloro-2-pyrazol-1-ylanilino)methyl]-2-ethylbutan-1-ol
CID 81400366
2-chloro-N-dodecyl-6-methylaniline
CID 66252343
2-[[(5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844439
2-chloro-N-(2,2-difluoroethyl)-6-methylaniline
CID 66251946
2-[(3-chloro-2-fluorophenyl)methyl]-2-ethylpropane-1,3-diol
CID 102863931

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol (CID 81419672) is 2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1c(C)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol?
The InChIKey is OSQLCGUCYWNFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-14(5-2,10-17)9-16-13-11(3)7-6-8-12(13)15/h6-8,16-17H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol?
2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol has a molecular weight of 255.79 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81419672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).