2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol

C15H24ClNO — CID 106256109

IUPAC2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCc1ccc(C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-15(5-2,11-18)10-17-9-13-7-6-12(3)8-14(13)16/h6-8,17-18H,4-5,9-11H2,1-3H3
InChIKeyZIGQDNCCCRVKDL-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.54
Rot. Bonds7

About 2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol

2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol (PubChem CID 106256109) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
PubChem CID106256109
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCc1ccc(C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-15(5-2,11-18)10-17-9-13-7-6-12(3)8-14(13)16/h6-8,17-18H,4-5,9-11H2,1-3H3
InChIKeyZIGQDNCCCRVKDL-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-4-methylphenyl)methylamino]-2-methylbutan-2-ol
CID 106862763
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106862762
2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol
CID 103845601
2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol
CID 81411904
2-ethyl-2-[[(2,3,6-trichlorophenyl)methylamino]methyl]butan-1-ol
CID 106252162
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 106869881
2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 106869525
4-[(2-chloro-4-methylphenyl)methylamino]butan-2-ol
CID 106862742
4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3-methylbenzonitrile
CID 106255686
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
CID 106869532
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106869920

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol (CID 106256109) is 2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCc1ccc(C)cc1Cl.
What is the InChIKey of 2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol?
The InChIKey is ZIGQDNCCCRVKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-15(5-2,11-18)10-17-9-13-7-6-12(3)8-14(13)16/h6-8,17-18H,4-5,9-11H2,1-3H3.
What are the key properties of 2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol?
2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol has a molecular weight of 269.82 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106256109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).